| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:57 UTC |
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| Update Date | 2025-03-25 00:45:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151033 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H20O9 |
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| Molecular Mass | 416.1107 |
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| SMILES | COc1ccc(C2CC(=O)c3c(O)cc(OC4CCC(C(=O)O)O4)cc3O2)cc1O |
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| InChI Key | QQFBVHCWXJTUDD-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-glycosides |
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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'-o-methylated flavonoids5-hydroxyflavonoidsacetalsalkyl aryl ethersanisolesaryl alkyl ketonescarboxylic acidschromonesflavanoneshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundstetrahydrofuransvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaryl alkyl ketone1-benzopyranflavanoneflavan1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativeketoneorganic oxideacetalchromonearomatic heteropolycyclic compoundchromaneorganoheterocyclic compoundflavonoid-7-o-glycosidebenzopyrantetrahydrofuran5-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoidmethoxybenzene3'-hydroxyflavonoidoxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundanisole4p-methoxyflavonoid-skeletonphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundaryl ketone |
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