| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:03 UTC |
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| Update Date | 2025-03-25 00:45:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02148906 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H18O12 |
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| Molecular Mass | 450.0798 |
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| SMILES | O=C1Oc2cc(OC3OC(C(=O)O)C(O)C(O)C3O)cc(O)c2Cc2cc(O)c(O)cc21 |
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| InChI Key | CSQDYOIOKDZRTP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzoxepines |
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| Subclass | dibenzoxepines |
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| Direct Parent | dibenzoxepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativeslactonesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethercarbonyl groupcarboxylic acidglucuronic acid or derivativeso-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidlactone1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundoxanedibenzoxepinealcoholpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compoundpyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compound |
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