| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:08 UTC |
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| Update Date | 2025-03-25 00:46:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156118 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H18O5 |
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| Molecular Mass | 278.1154 |
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| SMILES | CC(=O)CC(C(=O)O)c1ccc(CC(C)C(=O)O)cc1 |
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| InChI Key | YKFVOYXMQKFMDQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aromatic monoterpenoidscarboxylic acidsdicarboxylic acids and derivativesgamma-keto acids and derivativeshydrocarbon derivativesketonesmonocyclic monoterpenoidsorganic oxidesphenylpropanes |
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| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acid3-phenylpropanoic-acidp-cymenecarboxylic acid derivativegamma-keto acidketonephenylpropanearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundketo aciddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compoundaromatic monoterpenoid |
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