| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:17 UTC |
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| Update Date | 2025-03-25 00:50:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183701 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H12O8 |
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| Molecular Mass | 332.0532 |
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| SMILES | O=C1c2c(O)cc(O)cc2OC(O)(C(=O)O)C1c1ccc(O)cc1 |
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| InChI Key | ZWFBVGPIEZVLSZ-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 | isoflavans |
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| Direct Parent | isoflavanols |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids2-hydroxyisoflavanonesalpha hydroxy acids and derivativesaryl alkyl ketonesbenzene and substituted derivativescarboxylic acidschromoneshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsvinylogous acids |
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| Substituents | monocyclic benzene moietycarbonyl group2-hydroxyisoflavanonecarboxylic acidaryl alkyl ketone1-benzopyranalpha-hydroxy acidisoflavanol1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeisoflavanoneketoneorganic oxidechromonearomatic heteropolycyclic compoundchromanehemiacetalorganoheterocyclic compoundbenzopyranhydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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