| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:31 UTC |
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| Update Date | 2025-03-25 00:54:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02204717 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H14O7 |
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| Molecular Mass | 294.074 |
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| SMILES | O=CC(O)C(CC(=O)O)OC(=O)C=Cc1ccc(O)cc1 |
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| InChI Key | JRANHROKMRRBNY-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-hydroxy-2-unsubstituted benzenoidsalpha-hydroxyaldehydesbenzene and substituted derivativescarboxylic acidsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesmonosaccharidesorganic oxidessecondary alcohols |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativealpha,beta-unsaturated carboxylic estersaccharideorganic oxidealpha-hydroxyaldehydeenoate esteralcoholaldehydehydroxycinnamic acidaromatic homomonocyclic compoundfatty acid esterorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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