| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:12 UTC |
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| Update Date | 2025-03-25 01:00:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240581 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16O6 |
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| Molecular Mass | 280.0947 |
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| SMILES | CC(C(=O)O)c1ccc(C(O)CC(=O)CC(=O)O)cc1 |
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| InChI Key | CEZIZCAZNUZLJC-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 derivativesbeta-hydroxy ketonesbeta-keto acids and derivativescarbocyclic fatty acidscarboxylic acidsdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain keto acids and derivativesmonocyclic monoterpenoidsorganic oxidessecondary alcohols |
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| Substituents | aromatic alcoholfatty acylbeta-hydroxy ketonecarbocyclic fatty acidmonoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidp-cymenecarboxylic acid derivativebeta-keto acidketoneorganic oxide2-phenylpropanoic-acidhydroxy fatty acidalcoholaromatic homomonocyclic compoundorganic oxygen compoundketo acidsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compoundaromatic monoterpenoidmedium-chain keto acid |
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