| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:05 UTC |
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| Update Date | 2025-03-25 00:57:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222361 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13NO5 |
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| Molecular Mass | 263.0794 |
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| SMILES | O=C1c2cc3c(cc2CN2CC(O)C(O)C12)OCO3 |
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| InChI Key | BCEIZELUBMYEHU-UHFFFAOYSA-N |
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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 | isoquinolines and derivatives |
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| Subclass | isoquinolones and derivatives |
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| Direct Parent | isoquinolones and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-aminoalcohols1,2-diolsacetalsaralkylaminesaryl alkyl ketonesazacyclic compoundsbenzenoidsbenzodioxoleshydrocarbon derivativesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundsoxacyclic compoundssecondary alcoholstetrahydroisoquinolinestrialkylamines |
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| Substituents | aryl alkyl ketonearalkylamineketoneorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundisoquinolonepyrrolidinetertiary aminebenzodioxole1,2-diolalcoholazacyclen-alkylpyrrolidine1,2-aminoalcoholtertiary aliphatic amineoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compoundaryl ketone |
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