| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:19 UTC |
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| Update Date | 2025-03-21 18:41:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00134780 |
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| Frequency | 18.7 |
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| Structure | |
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| Chemical Formula | C9H10O5 |
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| Molecular Mass | 198.0528 |
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| SMILES | CCC(CC1=CC(=O)C(=O)O1)C(=O)O |
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| InChI Key | ZBGAQRXSLYALJD-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 | branched fatty acidscarboxylic acidscyclic ketonesdicarboxylic acids and derivativesenol estersfatty acylsfuranoneshydrocarbon derivativeslactonesorganic oxidesoxacyclic compoundsshort-chain hydroxy acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidcyclic ketonecarboxylic acid derivativebranched fatty acidketonelactoneoxacycleorganic oxideorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeenol ester3-furanoneorganoheterocyclic compoundorganooxygen compounddihydrofuran |
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