| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:35 UTC |
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| Update Date | 2025-03-21 18:00:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00030313 |
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| Frequency | 122.7 |
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| Structure | |
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| Chemical Formula | C12H16O5 |
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| Molecular Mass | 240.0998 |
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| SMILES | CC(C(=O)O)c1ccc(C(O)C(O)CO)cc1 |
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| InChI Key | KMZBJQSREKLOGR-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 alcoholsaromatic monoterpenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesprimary alcoholssecondary alcohols |
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| Substituents | aromatic alcoholalcoholmonoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidp-cymenecarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compound2-phenylpropanoic-acidsecondary alcoholhydrocarbon derivativebenzenoidprimary alcoholorganooxygen compoundaromatic monoterpenoid |
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