| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:30 UTC |
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| Update Date | 2025-03-25 00:46:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154696 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C26H26O9 |
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| Molecular Mass | 482.1577 |
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| SMILES | COc1ccc(C2COc3c(ccc4ccccc34)C2)cc1OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | SLGRYXADFXURFV-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 | isoflavonoids |
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| Subclass | isoflavonoid o-glycosides |
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| Direct Parent | isoflavonoid o-glycosides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans4'-o-methylated isoflavonoidsacetalsalkyl aryl ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesisoflavanolsmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharidesnaphthalenesnaphthopyranso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidglucuronic acid or derivatives1-benzopyranisoflavanolo-glucuronidemonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundchromaneoxaneorganoheterocyclic compound4p-methoxyisoflavonoidalcoholisoflavanbenzopyranpyran carboxylic acid or derivativesisoflavonoid-3p-o-glycosideisoflavonoid o-glycosidehydroxy acidmethoxybenzeneoxacyclenaphthopyranmonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundpyrananisolesecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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