| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:34 UTC |
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| Update Date | 2025-03-25 00:50:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182094 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12O9 |
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| Molecular Mass | 264.0481 |
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| SMILES | O=C(O)C=CC(=O)OC(C(=O)O)C(O)C(O)CO |
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| InChI Key | NRMQXKVWKFUOMG-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 | tricarboxylic acids and derivatives |
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| Direct Parent | tricarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | beta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsenoate estersfatty acid estershydrocarbon derivativesmonosaccharidesorganic oxidesprimary alcoholssecondary alcohols |
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| Substituents | enoate esteralcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidmonosaccharidetricarboxylic acid or derivativeshydroxy acidalpha,beta-unsaturated carboxylic esterfatty acid esterbeta-hydroxy acidsaccharideorganic oxideorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeprimary alcoholorganooxygen compound |
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