| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:12 UTC |
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| Update Date | 2025-03-21 18:00:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00029435 |
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| Frequency | 127.0 |
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| Structure | |
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| Chemical Formula | C23H24O12 |
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| Molecular Mass | 492.1268 |
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| SMILES | COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1OC1C(O)C(O)C(O)C(O)C1C(=O)O |
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| InChI Key | RXLKQYIDNQRJQF-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 | o-methylated flavonoids |
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| Direct Parent | 4'-o-methylated flavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids5-hydroxyflavonoids7-hydroxyflavonoidsalkyl aryl ethersanisolesaryl alkyl ketonesbeta hydroxy acids and derivativescarboxylic acidschromonescyclitols and derivativescyclohexanolsflavanoneshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundsvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaryl alkyl ketone1-benzopyranflavanoneflavan1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeketonebeta-hydroxy acidorganic oxidechromonearomatic heteropolycyclic compoundchromaneorganoheterocyclic compoundalcoholbenzopyrancyclohexanol5-hydroxyflavonoidcyclitol or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidcyclic alcoholmethoxybenzeneoxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundanisole7-hydroxyflavonoidsecondary alcohol4p-methoxyflavonoid-skeletonhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundaryl ketone |
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