| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:01 UTC |
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| Update Date | 2025-03-25 00:56:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219922 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9NO3 |
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| Molecular Mass | 179.0582 |
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| SMILES | COC(=O)C=Cc1ccc[nH]c1=O |
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| InChI Key | RXCNAIYIHPUDLR-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 | pyridines and derivatives |
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| Subclass | hydropyridines |
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| Direct Parent | pyridinones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundsenoate estersfatty acid estersheteroaromatic compoundshydrocarbon derivativeslactamsmethyl estersmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | fatty acylcarbonyl grouplactamaromatic heteromonocyclic compoundcarboxylic acid derivativealpha,beta-unsaturated carboxylic esterorganic oxidemethyl esterorganonitrogen compoundorganopnictogen compoundenoate esterazacycleheteroaromatic compoundmethylpyridinefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundpyridinoneorganooxygen compound |
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