| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:18 UTC |
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| Update Date | 2025-03-25 00:49:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02174556 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O5 |
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| Molecular Mass | 252.0998 |
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| SMILES | CCCCC(=O)OC(C(=O)O)c1ccccc1O |
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| InChI Key | BEOLCRXSOXLJOB-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesorganic oxides |
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| Substituents | benzyloxycarbonylfatty acylcarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundfatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
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