Detailed information for compound 562507

Basic information

Technical information
  • TDR Targets ID: 562507
  • Name: 4-(hydroxymethyl)-6-[[4,5,6-trihydroxy-3-(hyd roxymethyl)cyclohex-2-en-1-yl]amino]cyclohexa ne-1,2,3,5-tetrol
  • MW: 351.35 | Formula: C14H25NO9
  • H donors: 10 H acceptors: 9 LogP: -5.12 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 2
  • SMILES: OCC1C(O)C(NC2C=C(CO)C(C(C2O)O)O)C(C(C1O)O)O
  • InChi: 1S/C14H25NO9/c16-2-4-1-6(11(21)13(23)8(4)18)15-7-9(19)5(3-17)10(20)14(24)12(7)22/h1,5-24H,2-3H2
  • InChiKey: OTSKEODGNQKECL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-(hydroxymethyl)-6-[[4,5,6-trihydroxy-3-(hydroxymethyl)-1-cyclohex-2-enyl]amino]cyclohexane-1,2,3,5-tetrol
  • 4-methylol-6-[(4,5,6-trihydroxy-3-methylol-cyclohex-2-en-1-yl)amino]cyclohexane-1,2,3,5-tetrol
  • validoxylamine B
  • 4-methylol-6-[(4,5,6-trihydroxy-3-methylol-1-cyclohex-2-enyl)amino]cyclohexane-1,2,3,5-tetrol
  • 39318-73-5
  • 52277-01-7
  • D-chiro-Inositol, 1,5-dideoxy-5-(hydroxymethyl)-1-((4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl)amino)-, (1S-(1-alpha,4-alpha,5-beta,6-alpha))-

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans glycosyl hydrolase 0.0154 0.2077 0.5
Brugia malayi trehalase I 0.011 0.1417 0.3124
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0064 0.0064
Trypanosoma brucei glucose transporter 1E 0.0032 0.0243 0.1171
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0162 0.0781
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0064 0.014
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0103 0.1309 0.1309
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0064 0.014
Echinococcus granulosus General substrate transporter 0.0088 0.1092 0.1092
Loa Loa (eye worm) hypothetical protein 0.002 0.0064 0.014
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0064 0.0064
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0103 0.1309 0.1309
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0103 0.1309 0.1309
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0064 0.014
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0649 0.1432
Echinococcus multilocularis thyroid hormone receptor alpha 0.0269 0.3798 0.3798
Echinococcus multilocularis lamin dm0 0.0027 0.0165 0.0165
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0243 0.1171
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0064 0.0064
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0064 0.0064
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0064 0.0064
Onchocerca volvulus 0.0318 0.4536 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0064 0.0064
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0059 0.0649 0.0649
Brugia malayi hypothetical protein 0.011 0.1417 0.3124
Brugia malayi Trehalase family protein 0.0318 0.4536 1
Echinococcus granulosus lamin dm0 0.0027 0.0165 0.0165
Trypanosoma cruzi glycosyl hydrolase, putative 0.0154 0.2077 1
Onchocerca volvulus Trehalase homolog 0.0318 0.4536 1
Loa Loa (eye worm) hypothetical protein 0.011 0.1417 0.3124
Echinococcus multilocularis lysine specific demethylase 5A 0.0059 0.0649 0.0649
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0064 0.0064
Schistosoma mansoni lamin 0.0027 0.0165 0.0165
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0103 0.1309 0.1309
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0301 0.4287 0.9452
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0064 0.014
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0064 0.0064
Brugia malayi hypothetical protein 0.0318 0.4536 1
Brugia malayi latrophilin 2 splice variant baaae 0.0206 0.2856 0.6297
Brugia malayi ecdysteroid receptor 0.002 0.0064 0.014
Loa Loa (eye worm) hypothetical protein 0.0027 0.0162 0.0358
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0162 0.124
Brugia malayi steroid hormone receptor 0.002 0.0064 0.014
Loa Loa (eye worm) TRE-1 protein 0.0318 0.4536 1
Brugia malayi hypothetical protein 0.011 0.1417 0.3124
Schistosoma mansoni thyroid hormone receptor 0.0269 0.3798 0.3798
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0064 0.0064
Schistosoma mansoni hypothetical protein 0.0095 0.1195 0.1195
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0445 0.0445
Echinococcus granulosus lamin 0.0027 0.0165 0.0165
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0064 0.014
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0243 0.1171
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.1535 0.3384
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0064 0.0064
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0318 0.4536 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0445 0.098
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0064 0.0064
Trypanosoma brucei glucose transporter, putative 0.0032 0.0243 0.1171
Loa Loa (eye worm) hypothetical protein 0.002 0.0064 0.014
Schistosoma mansoni glucose transport protein 0.0103 0.1309 0.1309
Echinococcus granulosus lysine specific demethylase 5A 0.0059 0.0649 0.0649
Treponema pallidum hypothetical protein 0.011 0.1417 0.5
Trypanosoma cruzi hexose transporter, putative 0.0017 0.0026 0.0125
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0162 0.124
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0064 0.014
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0249 0.3499 0.3499
Trypanosoma brucei glucose transporter 2A 0.0032 0.0243 0.1171
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0165 0.0364
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0064 0.0064
Schistosoma mansoni microtubule-associated protein tau 0.0681 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0064 0.014
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0318 0.4536 1
Brugia malayi trehalase 0.011 0.1417 0.3124
Schistosoma mansoni jumonji domain containing protein 0.0059 0.0649 0.0649
Onchocerca volvulus 0.0027 0.0165 0.0227
Schistosoma mansoni hypothetical protein 0.0206 0.2856 0.2856
Onchocerca volvulus 0.0318 0.4536 1
Trypanosoma cruzi Glycosyl hydrolase family 65 central catalytic domain/Haloacid dehalogenase-like hydrolase, putative 0.0027 0.0167 0.0806
Brugia malayi Trehalase family protein 0.011 0.1417 0.3124
Trypanosoma brucei glucose transporter, putative 0.0032 0.0243 0.1171
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0064 0.0064
Brugia malayi hypothetical protein 0.0027 0.0162 0.0358
Plasmodium vivax hexose transporter 0.0103 0.1309 1
Loa Loa (eye worm) hypothetical protein 0.0095 0.1195 0.2635
Schistosoma mansoni lamin 0.0027 0.0165 0.0165
Trichomonas vaginalis conserved hypothetical protein 0.0318 0.4536 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0162 0.0781
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0095 0.1195 0.1195
Trypanosoma brucei glucose transporter, putative 0.0032 0.0243 0.1171
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0095 0.1195 0.1195
Onchocerca volvulus 0.0318 0.4536 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0064 0.0064
Brugia malayi Cytochrome P450 family protein 0.0048 0.049 0.108
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0103 0.1309 0.1309
Echinococcus granulosus GPCR family 2 0.0095 0.1195 0.1195
Leishmania major hypothetical protein, conserved 0.0027 0.0162 0.0781
Loa Loa (eye worm) hypothetical protein 0.0318 0.4536 1
Trichomonas vaginalis conserved hypothetical protein 0.0103 0.1309 0.2484
Toxoplasma gondii facilitative glucose transporter GT1 0.0103 0.1309 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0064 0.014
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0165 0.0364
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0064 0.014
Loa Loa (eye worm) hypothetical protein 0.0318 0.4536 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0064 0.014
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0064 0.014
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0165 0.0364
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0064 0.0064
Onchocerca volvulus 0.0318 0.4536 1
Loa Loa (eye worm) trehalase 0.0318 0.4536 1
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0162 0.124
Trichomonas vaginalis trehalase, putative 0.0318 0.4536 1
Brugia malayi Trehalase family protein 0.0318 0.4536 1
Onchocerca volvulus 0.0318 0.4536 1
Trypanosoma brucei glucose transporter, putative 0.0032 0.0243 0.1171
Brugia malayi Trehalase protein 5 0.011 0.1417 0.3124
Loa Loa (eye worm) hypothetical protein 0.011 0.1417 0.3124
Leishmania major glucose transporter, lmgt1 0.0032 0.0243 0.1171
Leishmania major glucose transporter, lmgt2 0.0032 0.0243 0.1171
Brugia malayi nuclear hormone receptor 0.002 0.0064 0.014
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.1535 0.3384
Loa Loa (eye worm) trehalase 0.0318 0.4536 1
Loa Loa (eye worm) hypothetical protein 0.011 0.1417 0.3124
Schistosoma mansoni hypothetical protein 0.0095 0.1195 0.1195
Trypanosoma brucei glycosyl hydrolase, putative 0.0154 0.2077 1
Brugia malayi jmjC domain containing protein 0.0059 0.0649 0.1432
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0445 0.098
Echinococcus granulosus intermediate filament protein 0.0027 0.0165 0.0165
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0445 0.0445
Schistosoma mansoni hypothetical protein 0.0103 0.1309 0.1309
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0064 0.014
Brugia malayi Trehalase family protein 0.0318 0.4536 1
Echinococcus multilocularis GPCR, family 2 0.0095 0.1195 0.1195
Brugia malayi Calcitonin receptor-like protein seb-1 0.0301 0.4287 0.9452
Loa Loa (eye worm) hypothetical protein 0.002 0.0064 0.014
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0064 0.014
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0064 0.0064
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0064 0.0064
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0064 0.0064
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0064 0.014
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0064 0.0064
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0064 0.014
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0064 0.014
Schistosoma mansoni nuclear hormone receptor 0.002 0.0064 0.0064
Leishmania major hypothetical protein, conserved 0.0027 0.0167 0.0806
Brugia malayi Sugar transporter family protein 0.0103 0.1309 0.2887
Trypanosoma brucei glucose transporter, putative 0.0032 0.0243 0.1171
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0095 0.1195 0.1195
Schistosoma mansoni thyroid hormone receptor 0.0269 0.3798 0.3798
Echinococcus multilocularis lamin 0.0027 0.0165 0.0165
Leishmania major glucose transporter/membrane transporter D2, putative 0.0032 0.0243 0.1171
Leishmania major glucose transporter, lmgt3 0.0032 0.0243 0.1171
Brugia malayi MH2 domain containing protein 0.0118 0.1535 0.3384
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0064 0.0064
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0064 0.014
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0162 0.124
Trypanosoma cruzi Glycosyl hydrolase family 65 central catalytic domain/Haloacid dehalogenase-like hydrolase, putative 0.0027 0.0167 0.0806
Brugia malayi jmjC domain containing protein 0.0059 0.0649 0.1432
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0445 0.0445
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0064 0.014
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0103 0.1309 0.1309
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0301 0.4287 0.9452
Echinococcus multilocularis microtubule associated protein 2 0.0681 1 1
Loa Loa (eye worm) hypothetical protein 0.0318 0.4536 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0064 0.014
Loa Loa (eye worm) hypothetical protein 0.0206 0.2856 0.6297
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0095 0.1195 0.2635
Schistosoma mansoni hypothetical protein 0.0095 0.1195 0.1195
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0064 0.014
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0445 0.0445
Onchocerca volvulus 0.0027 0.0165 0.0227
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0445 0.0445
Loa Loa (eye worm) cytochrome P450 family protein 0.0048 0.049 0.108
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0095 0.1195 0.1195
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0243 0.1171
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0064 0.014
Schistosoma mansoni hypothetical protein 0.0249 0.3499 0.3499
Loa Loa (eye worm) hypothetical protein 0.0301 0.4287 0.9452
Loa Loa (eye worm) hypothetical protein 0.0026 0.0158 0.0348
Schistosoma mansoni glucose transport protein 0.0103 0.1309 0.1309
Schistosoma mansoni intermediate filament proteins 0.0027 0.0165 0.0165
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0064 0.014
Trypanosoma brucei glucose transporter, putative 0.0032 0.0243 0.1171
Leishmania major glycosyl hydrolase, putative 0.0154 0.2077 1
Brugia malayi nuclear receptor NHR-88 0.002 0.0064 0.014
Echinococcus multilocularis musashi 0.0027 0.0165 0.0165
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0243 0.1171
Schistosoma mansoni coup transcription factor 0.002 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0208 0.2883 0.6356
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0445 0.0445
Trypanosoma brucei glucose transporter, putative 0.0032 0.0243 0.1171
Trypanosoma cruzi hexose transporter 0.0032 0.0243 0.1171
Brugia malayi Trehalase family protein 0.011 0.1417 0.3124
Loa Loa (eye worm) trehalase 0.011 0.1417 0.3124
Schistosoma mansoni hypothetical protein 0.0095 0.1195 0.1195
Echinococcus multilocularis General substrate transporter 0.0088 0.1092 0.1092
Plasmodium falciparum hexose transporter 0.0103 0.1309 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0064 0.014
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0103 0.1309 0.1309
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0064 0.0064
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0064 0.014
Schistosoma mansoni glucose transport protein 0.0103 0.1309 0.1309
Brugia malayi Trehalase family protein 0.0318 0.4536 1
Loa Loa (eye worm) sugar transporter 0.0103 0.1309 0.2887
Brugia malayi hypothetical protein 0.0017 0.0021 0.0047
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0059 0.0649 0.0649
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0445 0.0445
Brugia malayi hypothetical protein 0.011 0.1417 0.3124
Loa Loa (eye worm) hypothetical protein 0.0027 0.0165 0.0364
Loa Loa (eye worm) hypothetical protein 0.011 0.1417 0.3124
Loa Loa (eye worm) hypothetical protein 0.002 0.0064 0.014
Echinococcus granulosus FTZ F1 alpha 0.002 0.0064 0.0064
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0243 0.1171
Schistosoma mansoni jumonji/arid domain-containing protein 0.0059 0.0649 0.0649
Loa Loa (eye worm) trehalase 0.0318 0.4536 1
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0249 0.3499 0.3499
Trypanosoma cruzi Glycosyl hydrolase family 65 central catalytic domain/Haloacid dehalogenase-like hydrolase, putative 0.0027 0.0167 0.0806
Schistosoma mansoni jumonji/arid domain-containing protein 0.0059 0.0649 0.0649
Mycobacterium leprae Possible hydrolase 0.0154 0.2077 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0095 0.1195 0.2635
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0064 0.014
Brugia malayi Latrophilin receptor protein 2 0.0095 0.1195 0.2635
Trypanosoma brucei glucose transporter, putative 0.0032 0.0243 0.1171
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0064 0.014
Loa Loa (eye worm) trehalase 0.011 0.1417 0.3124
Trypanosoma brucei Glycosyl hydrolase family 65 central catalytic domain/Haloacid dehalogenase-like hydrolase, putative 0.0027 0.0167 0.0806
Loa Loa (eye worm) hypothetical protein 0.002 0.0064 0.014
Loa Loa (eye worm) TRE-2 protein 0.0318 0.4536 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0064 0.014
Mycobacterium tuberculosis Conserved protein 0.0154 0.2077 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0162 0.0781
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0103 0.1309 0.1309
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0064 0.0064
Brugia malayi intermediate filament protein 0.0027 0.0165 0.0364
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0243 0.1171
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0064 0.0064

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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