| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:32 UTC |
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| Update Date | 2025-03-25 00:50:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182017 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C26H21O13+ |
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| Molecular Mass | 541.0977 |
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| SMILES | O=C(O)C1OC(Oc2cc3c(=O)cc(-c4ccc(O)cc4)oc3[o+]c2-c2ccc(O)c(O)c2)C(O)C(O)C1O |
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| InChI Key | GMZOELYRQPHFDO-UHFFFAOYSA-O |
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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 | diarylheptanoids |
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| Subclass | linear diarylheptanoids |
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| Direct Parent | linear diarylheptanoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic cationsorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidspyranones and derivativessecondary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivativeso-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundpyranoneorganic cationoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesheteroaromatic compoundhydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholphenollinear 1,7-diphenylheptane skeletonhydrocarbon derivativebenzenoidorganooxygen compound |
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