| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:15 UTC |
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| Update Date | 2025-03-25 01:00:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240664 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14O6 |
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| Molecular Mass | 266.079 |
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| SMILES | CC(C(=O)O)c1ccc(CC(=O)C(O)C(=O)O)cc1 |
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| InChI Key | AXWAVOMCBMGNFB-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 | 1,3-dicarbonyl compoundsacyloinsalpha hydroxy acids and derivativesalpha-hydroxy ketonesaromatic monoterpenoidsbenzene and substituted derivativesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonocyclic monoterpenoidsmonosaccharidesorganic oxidessecondary alcohols |
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| Substituents | beta-hydroxy ketonemonoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidalpha-hydroxy acidmonosaccharidep-cymenealpha-hydroxy ketonecarboxylic acid derivativebeta-keto acidketonesaccharideorganic oxide2-phenylpropanoic-acidalcoholhydroxy acidaromatic homomonocyclic compoundorganic oxygen compoundketo acidacyloinsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoid1,3-dicarbonyl compoundorganooxygen compoundaromatic monoterpenoid |
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