| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:36 UTC |
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| Update Date | 2025-03-21 18:36:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00109386 |
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| Frequency | 24.4 |
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| Structure | |
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| Chemical Formula | C24H26O9 |
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| Molecular Mass | 458.1577 |
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| SMILES | CC1C(Oc2cc(O)c3c(c2)OC(c2ccc(O)c(O)c2)CC3=O)OC(C(=O)O)C(C)C1C |
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| InChI Key | PHBQMUYABUJJTD-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 | flavonoid glycosides |
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| Direct Parent | flavonoid-7-o-glucuronides |
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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'-hydroxyflavonoids5-hydroxyflavonoidsacetalsalkyl aryl ethersaryl alkyl ketonesbenzene and substituted derivativescarboxylic acidschromonesflavanonesflavonoid-7-o-glycosideshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidsvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaryl alkyl ketone1-benzopyranflavanoneflavan1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativepyran carboxylic acidketoneorganic oxideacetalchromonearomatic heteropolycyclic compoundchromaneoxaneorganoheterocyclic compoundflavonoid-7-o-glycosidebenzopyranpyran carboxylic acid or derivatives5-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoidoxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundpyranflavonoid-7-o-glucuronide4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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