| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:53 UTC |
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| Update Date | 2025-03-25 00:49:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02173620 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H22O3 |
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| Molecular Mass | 250.1569 |
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| SMILES | CCC(C)Cc1ccc(C(C)C(O)C(=O)O)cc1 |
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| InChI Key | LUFCUQUDDYHDCR-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 | alpha hydroxy acids and derivativesaromatic monoterpenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesphenylpropanessecondary alcohols |
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| Substituents | alcoholmonoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acid3-phenylpropanoic-acidalpha-hydroxy acidp-cymenehydroxy acidcarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compoundaromatic monoterpenoid |
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