| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 09:10:16 UTC |
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| Update Date | 2025-03-24 20:12:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01372041 |
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| Frequency | 0.9 |
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| Structure | |
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| Chemical Formula | C7H10O3 |
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| Molecular Mass | 142.063 |
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| SMILES | COC(=O)C1=C(O)CCC1 |
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| InChI Key | PCTQYRLRFUJDQU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | vinylogous acids |
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| Subclass | vinylogous acids |
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| Direct Parent | vinylogous acids |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundsenoate estershydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | enoate estercarbonyl groupcarboxylic acid derivativealpha,beta-unsaturated carboxylic estervinylogous acidorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esteraliphatic homomonocyclic compoundhydrocarbon derivativeorganooxygen compound |
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