| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:55 UTC |
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| Update Date | 2025-03-25 00:46:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157830 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14O9 |
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| Molecular Mass | 290.0638 |
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| SMILES | O=C(O)CCCC(=O)OC1=C(O)C(=O)OC1C(O)CO |
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| InChI Key | OWRHMMWZGMVNAY-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 heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsbutenolidescarbonyl compoundscarboxylic acidsdihydrofuransenoate estersfatty acid estershydrocarbon derivativeslactonesmonosaccharidesorganic oxidesoxacyclic compoundsprimary alcoholssecondary alcohols |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidmonosaccharidetricarboxylic acid or derivativeslactonealpha,beta-unsaturated carboxylic ester2-furanonesaccharideorganic oxidealiphatic heteromonocyclic compoundprimary alcoholorganoheterocyclic compound1,2-dioldihydrofuranenoate esteralcoholoxacyclefatty acid esterorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganooxygen compound |
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