| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:36 UTC |
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| Update Date | 2025-03-25 00:59:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236953 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H24O13S |
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| Molecular Mass | 468.0938 |
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| SMILES | O=C(CCC(O)Cc1cc(O)c(O)c(O)c1)OCOC1OC(S(=O)O)C(O)C(O)C1O |
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| InChI Key | FDJNTZRMWPNHID-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenols |
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| Subclass | benzenetriols and derivatives |
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| Direct Parent | pyrogallols and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkanesulfinic acids and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acid estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganosulfur compoundsoxacyclic compoundsoxanessecondary alcoholssulfinic acids |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundsulfinic acid derivative1-hydroxy-2-unsubstituted benzenoidmonosaccharideorganosulfur compoundcarboxylic acid derivativesulfinic acidalkanesulfinic acid or derivativessaccharideorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyrogallol derivative1-hydroxy-4-unsubstituted benzenoidoxacyclefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganooxygen compound |
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