| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:05 UTC |
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| Update Date | 2025-03-25 00:47:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162614 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16O7 |
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| Molecular Mass | 260.0896 |
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| SMILES | O=C(O)CC(O)(C(=O)O)C(=O)C1CCC(O)CC1 |
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| InChI Key | AHQOVAQUBWURCM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | carbocyclic fatty acids |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | acyloinsalpha hydroxy acids and derivativesbeta-hydroxy ketonesbeta-keto acids and derivativesbranched fatty acidscarboxylic acidscyclic alcohols and derivativescyclohexanolsdicarboxylic acids and derivativesfatty acylsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsorganic oxidesshort-chain keto acids and derivativestertiary alcohols |
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| Substituents | beta-hydroxy ketonecarbocyclic fatty acidcarbonyl groupcarboxylic acidalpha-hydroxy acidshort-chain keto acidcarboxylic acid derivativebeta-keto acidketoneorganic oxidehydroxy fatty acidalcoholcyclohexanolhydroxy acidcyclic alcoholbranched fatty acidgamma-keto acidtertiary alcoholorganic oxygen compoundketo acidacyloinsecondary alcoholaliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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