| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:19 UTC |
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| Update Date | 2025-03-25 00:47:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163180 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H20O12 |
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| Molecular Mass | 476.0955 |
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| SMILES | O=C(O)C1(O)C(O)CC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C1O |
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| InChI Key | BAPYRVWHJMSTPR-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 | flavonoids |
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| Subclass | hydroxyflavonoids |
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| Direct Parent | 5-hydroxyflavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids4'-hydroxyflavonoids7-hydroxyflavonoidsalkyl aryl ethersalpha hydroxy acids and derivativesbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschromonescyclitols and derivativescyclohexanolsflavonoidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundspyranones and derivativestertiary alcoholsvinylogous acids |
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| Substituents | monocyclic benzene moietycarbonyl groupethercarboxylic acid1-benzopyranalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativebeta-hydroxy acidorganic oxidechromonearomatic heteropolycyclic compoundpyranoneorganoheterocyclic compoundalcoholbenzopyranheteroaromatic compoundcyclohexanol5-hydroxyflavonoidcyclitol or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidcyclic alcoholoxacyclevinylogous acidtertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundpyran7-hydroxyflavonoidsecondary alcohol4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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