| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:34 UTC |
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| Update Date | 2025-03-25 00:56:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221183 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H16O13 |
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| Molecular Mass | 464.0591 |
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| SMILES | O=C(O)C1OC(Oc2cc(O)cc3c(=O)c(=O)c4c(O)cc(O)cc4oc23)C(O)C(O)C1O |
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| InChI Key | GIRVKNVSXCXELX-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 acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidssecondary alcoholsvinylogous acids |
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| Substituents | phenol ethercarbonyl groupcarboxylic acidglucuronic acid or derivativeso-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundoxanedibenzoxepinealcoholpyran carboxylic acid or derivativesheteroaromatic compoundhydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
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