| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:54 UTC |
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| Update Date | 2025-03-25 00:47:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164503 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12O3 |
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| Molecular Mass | 192.0786 |
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| SMILES | CC(O)=CC(=O)OCc1ccccc1 |
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| InChI Key | WVUGRKLFGHSLAC-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 | carbonyl compoundsenoate estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesvinylogous acids |
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| Substituents | benzyloxycarbonylenoate esterfatty acylcarbonyl groupcarboxylic acid derivativearomatic homomonocyclic compoundalpha,beta-unsaturated carboxylic esterfatty acid estervinylogous acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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