| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:53 UTC |
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| Update Date | 2025-03-25 00:56:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221897 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H10O7S |
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| Molecular Mass | 334.0147 |
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| SMILES | O=c1c(-c2ccc(O)cc2)coc2cc(S(=O)(=O)O)cc(O)c12 |
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| InChI Key | PLLRGLYHXNXCTP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | isoflavonoids |
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| Subclass | isoflav-2-enes |
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| Direct Parent | isoflavones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids1-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativesbenzene and substituted derivativeschromonesheteroaromatic compoundshydrocarbon derivativesisoflavonoidsorganic oxidesorganooxygen compoundsorganosulfonic acidsoxacyclic compoundspyranones and derivativessulfonylsvinylogous acids |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moiety1-benzopyranorganosulfonic acid1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundorganic oxidechromonearomatic heteropolycyclic compoundpyranoneorganoheterocyclic compoundisoflavonebenzopyran1-sulfo,2-unsubstituted aromatic compoundheteroaromatic compound1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidsulfonylarylsulfonic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativespyranphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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