| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:47 UTC |
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| Update Date | 2025-03-25 00:55:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02210018 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18O6 |
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| Molecular Mass | 270.1103 |
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| SMILES | CC(c1ccc(C(O)C(O)C(=O)O)cc1)C(O)CO |
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| InChI Key | MSFGIFBFVCEYJY-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 alcoholsaromatic monoterpenoidsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsmonosaccharidesorganic oxidesprimary alcoholssecondary alcohols |
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| Substituents | aromatic alcoholmonoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acid3-phenylpropanoic-acidalpha-hydroxy acidmonosaccharidep-cymenecarboxylic acid derivativebeta-hydroxy acidsaccharideorganic oxideprimary alcoholalcoholhydroxy acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compoundaromatic monoterpenoid |
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