| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:11 UTC |
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| Update Date | 2025-03-25 00:47:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162862 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H11NO4 |
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| Molecular Mass | 245.0688 |
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| SMILES | O=C(C=Cc1ccc[nH]1)c1c(O)cc(O)cc1O |
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| InChI Key | XKQLSEIZBVWWHS-UHFFFAOYSA-N |
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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 | acylphloroglucinols and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha,beta-unsaturated ketonesaryl ketonesazacyclic compoundsbenzoyl derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrolesvinylogous acids |
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| Substituents | monocyclic benzene moietyaromatic heteromonocyclic compoundbenzoyl1-hydroxy-2-unsubstituted benzenoidalpha,beta-unsaturated ketoneketoneorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundacylphloroglucinol derivativeazacycleheteroaromatic compound1-hydroxy-4-unsubstituted benzenoidvinylogous acidorganic oxygen compoundpyrrolehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundaryl ketone |
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