| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:26 UTC |
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| Update Date | 2025-03-21 18:42:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00137351 |
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| Frequency | 18.2 |
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| Structure | |
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| Chemical Formula | C12H10O7 |
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| Molecular Mass | 266.0427 |
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| SMILES | O=CC(OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)O |
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| InChI Key | RORNGVLTCTZJGY-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 | cinnamic acids and derivatives |
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| Subclass | hydroxycinnamic acids and derivatives |
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| Direct Parent | hydroxycinnamic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaldehydesalpha-acyloxy aldehydesbenzene and substituted derivativescarboxylic acidsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesorganic oxides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativealpha,beta-unsaturated carboxylic esterorganic oxidealpha-acyloxy aldehydeenoate esteraldehyde1-hydroxy-4-unsubstituted benzenoidhydroxycinnamic acidaromatic homomonocyclic compoundfatty acid esterorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoid1,3-dicarbonyl compoundorganooxygen compound |
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