| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:08 UTC |
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| Update Date | 2025-03-21 18:05:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00055354 |
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| Frequency | 99.9 |
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| Structure | |
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| Chemical Formula | C7H8N2O2 |
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| Molecular Mass | 152.0586 |
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| SMILES | COC(=O)C=Cc1cnc[nH]1 |
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| InChI Key | ZXKOENSQFURTSZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acid esters |
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| Direct Parent | fatty acid esters |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundsenoate estersheteroaromatic compoundshydrocarbon derivativesimidazolesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | enoate estercarbonyl grouparomatic heteromonocyclic compoundazacycleheteroaromatic compoundcarboxylic acid derivativealpha,beta-unsaturated carboxylic esterfatty acid esterorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundimidazolecarboxylic acid esterorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundazole |
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