| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:32 UTC |
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| Update Date | 2025-03-25 00:46:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154749 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H22O11 |
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| Molecular Mass | 462.1162 |
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| SMILES | COc1cc2c(c(OC3C(O)OC(C(=O)O)C(O)C3O)c1)C(=O)CC(c1ccc(O)cc1)O2 |
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| InChI Key | QHPVLAVXSONLDX-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 | 7-o-methylated flavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoids4'-hydroxyflavonoidsalkyl aryl ethersanisolesaryl alkyl ketonesbenzene and substituted derivativesbeta hydroxy acids and derivativescarboxylic acidschromonesflavanonesglucuronic acid derivativeshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaryl alkyl ketoneglucuronic acid or derivatives1-benzopyranflavanoneflavan1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidketonebeta-hydroxy acidsaccharideorganic oxidechromonearomatic heteropolycyclic compoundchromanehemiacetaloxaneorganoheterocyclic compound1,2-diolalcoholbenzopyranpyran carboxylic acid or derivativeshydroxy acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyrananisolesecondary alcohol4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoid7-methoxyflavonoid-skeletonorganooxygen compoundaryl ketone |
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