| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:32 UTC |
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| Update Date | 2025-03-25 00:58:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02232227 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H22O10 |
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| Molecular Mass | 410.1213 |
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| SMILES | CCC(CCC(=O)OC(CC(=O)O)C(=O)O)COC(=O)c1ccccc1C(=O)O |
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| InChI Key | FHVBWMRVJRJNNJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | pentacarboxylic acids and derivatives |
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| Direct Parent | pentacarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsbenzoic acid estersbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acid estersfatty acid estershydrocarbon derivativesorganic oxides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidbenzoylbenzoic acid or derivativesbenzoate esterpentacarboxylic acid or derivativesaromatic homomonocyclic compoundfatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoid1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
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