| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:34 UTC |
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| Update Date | 2025-03-25 00:51:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186654 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13N3O2 |
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| Molecular Mass | 231.1008 |
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| SMILES | Nc1c(Cc2ccccc2)n[nH]c1CC(=O)O |
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| InChI Key | HBCVZFWYNAYMPU-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 | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminespyrazoles |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleamino acid or derivativesamino acidheteroaromatic compoundcarboxylic acid derivativepyrazoleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganoheterocyclic compoundorganooxygen compoundazole |
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