| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:33 UTC |
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| Update Date | 2025-03-25 00:54:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02209448 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H9NO3 |
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| Molecular Mass | 203.0582 |
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| SMILES | CC1=CC(=O)c2c(ccn(C)c2=O)C1=O |
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| InChI Key | NLFPUKOMRVHWIS-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 | isoquinoline quinones |
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| Direct Parent | isoquinoline quinones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl ketonesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsmethylpyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridinonesvinylogous amides |
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| Substituents | vinylogous amidelactamazacyclepolyhalopyridineheteroaromatic compoundmethylpyridineketoneorganic oxideisoquinoline quinonepyridineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpyridinoneorganooxygen compoundaryl ketone |
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