| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:10 UTC |
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| Update Date | 2025-03-25 00:59:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238221 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H22O10 |
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| Molecular Mass | 434.1213 |
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| SMILES | O=C(O)CCC(O)CC(=O)OC1Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1 |
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| InChI Key | ZSGMKKHMIZGWRE-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 | flavans |
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| Direct Parent | catechins |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3'-hydroxyflavonoids4'-hydroxyflavonoids5-hydroxyflavonoids7-hydroxyflavonoidsalkyl aryl ethersbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesorganic oxidesoxacyclic compoundssecondary alcohols |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupethercarboxylic acid1-benzopyran1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativebeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundchromanecatechinorganoheterocyclic compoundalcoholbenzopyran5-hydroxyflavonoidhydroxy acid1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoidoxacyclefatty acid esterorganic oxygen compound7-hydroxyflavonoidcarboxylic acid estersecondary alcoholdicarboxylic acid or derivatives4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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