| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:40 UTC |
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| Update Date | 2025-03-25 00:49:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177796 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H9O7+ |
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| Molecular Mass | 253.0343 |
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| SMILES | Oc1cc(-c2ccc(O)c(O)c2O)[o+]c(O)c1O |
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| InChI Key | LTPFRFZQNCGYDC-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenols |
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| Subclass | benzenetriols and derivatives |
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| Direct Parent | 5-unsubstituted pyrrogallols |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesorganic cationsorganooxygen compoundsoxacyclic compounds |
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| Substituents | monocyclic benzene moietyaromatic heteromonocyclic compoundheteroaromatic compound1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compound5-unsubstituted pyrrogallolhydrocarbon derivativeorganic cationorganoheterocyclic compoundorganooxygen compound |
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