| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:03 UTC |
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| Update Date | 2025-03-25 00:47:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162552 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H14O9 |
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| Molecular Mass | 374.0638 |
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| SMILES | O=C(O)CC(O)c1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O |
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| InChI Key | UBOYVLYMFHHBDD-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 benzenoids3'-hydroxyflavonoids4'-hydroxyflavonoids7-hydroxyflavonoidsaromatic alcoholsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschromonesflavonoidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundspyranones and derivativessecondary alcoholsvinylogous acids |
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| Substituents | aromatic alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acid1-benzopyran1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativebeta-hydroxy acidorganic oxidechromonearomatic heteropolycyclic compoundpyranoneorganoheterocyclic compoundalcoholbenzopyranheteroaromatic compound5-hydroxyflavonoidhydroxy acid1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoidoxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundpyran7-hydroxyflavonoidsecondary alcohol4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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