| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:01 UTC |
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| Update Date | 2025-03-25 00:46:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158050 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H10O7 |
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| Molecular Mass | 314.0427 |
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| SMILES | O=C(O)c1cc2occ(-c3ccc(O)c(O)c3)c(=O)c2cc1O |
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| InChI Key | WQKSMSQXRBQXTA-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-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativeschromonesheteroaromatic compoundshydrocarbon derivativesisoflavonoidsmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivativessalicylic acid and derivativesvinylogous acids |
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| Substituents | monocyclic benzene moietycarboxylic acid1-benzopyran1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxidechromonearomatic heteropolycyclic compoundpyranone1-carboxy-2-haloaromatic compoundorganoheterocyclic compoundisoflavonebenzopyranheteroaromatic compound1-hydroxy-4-unsubstituted benzenoidhydroxybenzoic acidoxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativespyranphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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