| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:12 UTC |
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| Update Date | 2025-03-21 18:29:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00079490 |
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| Frequency | 36.7 |
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| Structure | |
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| Chemical Formula | C17H14O8 |
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| Molecular Mass | 346.0689 |
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| SMILES | CC(=O)OC1C(=O)c2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1 |
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| InChI Key | NPWRSXJQDKRXOR-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 | flavanonols |
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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-hydroxyflavonoids7-hydroxyflavonoidsalkyl aryl ethersalpha-acyloxy ketonesaryl alkyl ketonesbenzene and substituted derivativescarboxylic acid esterschromoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsvinylogous acids |
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| Substituents | monocyclic benzene moietycarbonyl groupetheraryl alkyl ketonealpha-acyloxy ketone1-benzopyran1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeketoneorganic oxidechromonearomatic heteropolycyclic compoundchromaneorganoheterocyclic compoundbenzopyran5-hydroxyflavonoidflavanonol1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoidoxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compound7-hydroxyflavonoidcarboxylic acid ester4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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