| 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 00:56:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221194 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H17O9+ |
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| Molecular Mass | 389.0867 |
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| SMILES | O=C(O)C1OC(Oc2ccc3[o+]c4ccc(O)cc4cc3c2)C(O)C(O)C1O |
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| InChI Key | XMIRKNRANOJPOQ-UHFFFAOYSA-O |
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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 | benzopyrans |
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| Subclass | 1-benzopyrans |
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| Direct Parent | xanthenes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic cationsorganic 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 acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundorganic cationoxanealcoholpyran carboxylic acid or derivativesheteroaromatic compoundhydroxy acidxantheneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
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