| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:08 UTC |
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| Update Date | 2025-03-25 00:56:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217846 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H16NO4+ |
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| Molecular Mass | 298.1074 |
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| SMILES | C1=C2CC[N+](=CC3=C1OCO3)CCc1cc3c(cc12)OCO3 |
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| InChI Key | UPYFQXUFVHEVRV-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 | benzene and substituted derivatives |
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| Subclass | benzazocines |
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| Direct Parent | benzazocines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,3-dioxolesacetalsazacyclic compoundsbenzenoidsbenzodioxoleshydrocarbon derivativesorganic cationsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | azacyclemeta-dioxoleoxacycleorganic oxygen compoundacetalaromatic heteropolycyclic compoundbenzazocineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganoheterocyclic compoundorganooxygen compoundbenzodioxole |
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