| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:26 UTC |
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| Update Date | 2025-03-25 00:54:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206778 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H10O5 |
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| Molecular Mass | 234.0528 |
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| SMILES | O=C(O)C(=O)C=C(Cc1ccccc1)C(=O)O |
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| InChI Key | ZJVJPDCFTFCPIO-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 | acryloyl compoundsalpha-hydroxy ketonesalpha-keto acids and derivativesbenzene and substituted derivativesbranched fatty acidscarbocyclic fatty acidscarboxylic acidsdicarboxylic acids and derivativesenonesfatty acylshydrocarbon derivativesmedium-chain keto acids and derivativesorganic oxidesunsaturated fatty acids |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidalpha,beta-unsaturated ketonealpha-hydroxy ketonecarboxylic acid derivativeketoneunsaturated fatty acidorganic oxidealpha-keto acidenonebranched fatty acidaromatic homomonocyclic compoundorganic oxygen compoundketo aciddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidacryloyl-grouporganooxygen compoundmedium-chain keto acid |
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