| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:21 UTC |
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| Update Date | 2025-03-21 18:38:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00118499 |
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| Frequency | 22.1 |
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| Structure | |
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| Chemical Formula | C22H32O4 |
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| Molecular Mass | 360.2301 |
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| SMILES | CCCCCCCCCCCC=CC(=O)OCc1ccc(C(=O)O)cc1 |
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| InChI Key | COKPELDGYMAFEW-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 | benzyloxycarbonyls |
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| Direct Parent | benzyloxycarbonyls |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesorganic oxides |
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| Substituents | benzyloxycarbonylenoate esterfatty acylcarbonyl groupcarboxylic acidbenzoylbenzoic acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundalpha,beta-unsaturated carboxylic esterfatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzoic acidorganooxygen compound |
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