| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:21 UTC |
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| Update Date | 2025-03-25 00:50:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183833 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H15O8+ |
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| Molecular Mass | 383.0761 |
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| SMILES | O=C1CC(c2ccc(O)cc2)Oc2c(O)cc(-c3cc(O)c(O)c(O)c3)[o+]c21 |
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| InChI Key | RCVCDLVOINBQSS-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 | pyrogallols and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersaryl alkyl ketonesbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesorganic cationsorganic oxidesoxacyclic compounds |
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| Substituents | monocyclic benzene moietyetherpyrogallol derivativearyl alkyl ketoneheteroaromatic compound1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidalkyl aryl etherketoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundhydrocarbon derivativeorganic cationorganoheterocyclic compoundorganooxygen compoundaryl ketone |
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