| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:59 UTC |
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| Update Date | 2025-03-25 00:48:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02167057 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H20O5 |
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| Molecular Mass | 292.1311 |
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| SMILES | CC(C(=O)O)c1ccc(C2(O)CCC(C(=O)O)CC2)cc1 |
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| InChI Key | JJVJJSPREBYINH-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 derivativescyclohexanolsdicarboxylic acids and derivativeshydrocarbon derivativesmonocyclic monoterpenoidsorganic oxidestertiary alcohols |
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| Substituents | alcoholmonoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidcyclohexanolp-cymenecyclic alcoholcarboxylic acid derivativearomatic homomonocyclic compoundtertiary alcoholorganic oxideorganic oxygen compound2-phenylpropanoic-aciddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compoundaromatic monoterpenoid |
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