| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:23:07 UTC |
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| Update Date | 2025-03-25 01:02:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02254169 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12O6 |
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| Molecular Mass | 216.0634 |
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| SMILES | CC(CCC(=O)O)C1OC(=O)C(O)=C1O |
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| InChI Key | FKHYFSIHUZTOQZ-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 | heterocyclic fatty acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | butenolidescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesdihydrofuransenoate estersfatty acylshydrocarbon derivativeshydroxy fatty acidslactonesmethyl-branched fatty acidsmonosaccharidesorganic oxidesoxacyclic compoundsshort-chain hydroxy acids and derivativesvinylogous acids |
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| Substituents | carbonyl groupcarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidmonosaccharidecarboxylic acid derivativelactonealpha,beta-unsaturated carboxylic ester2-furanonesaccharideorganic oxidealiphatic heteromonocyclic compoundhydroxy fatty acidorganoheterocyclic compounddihydrofuranenoate estermethyl-branched fatty acidbranched fatty acidoxacyclevinylogous acidorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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