| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:56 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 | DMID02157866 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H10O5 |
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| Molecular Mass | 186.0528 |
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| SMILES | O=C(O)CCCC1(O)C=CC(=O)O1 |
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| InChI Key | JNLTVORMOUTCRC-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 acylshemiacetalshydrocarbon derivativeshydroxy fatty acidslactonesorganic oxidesoxacyclic compoundsshort-chain hydroxy acids and derivatives |
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| Substituents | enoate estercarbonyl groupcarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidcarboxylic acid derivativelactoneoxacyclealpha,beta-unsaturated carboxylic ester2-furanoneorganic oxideorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compounddicarboxylic acid or derivativeshemiacetalhydrocarbon derivativehydroxy fatty acidorganoheterocyclic compoundorganooxygen compounddihydrofuran |
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