| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:07 UTC |
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| Update Date | 2025-03-21 18:38:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00120257 |
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| Frequency | 21.6 |
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| Structure | |
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| Chemical Formula | C16H22O3 |
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| Molecular Mass | 262.1569 |
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| SMILES | CC(C(=O)O)c1ccc(CC2CCC(O)CC2)cc1 |
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| InChI Key | OWGCIDVKFXCSNB-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 monoterpenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidscyclic alcohols and derivativescyclohexanolshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxides |
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| Substituents | alcoholmonoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidcyclohexanolp-cymenecyclic alcoholcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compound2-phenylpropanoic-acidsecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compoundaromatic monoterpenoid |
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