| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:45 UTC |
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| Update Date | 2025-03-25 00:51:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189357 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12O4 |
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| Molecular Mass | 184.0736 |
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| SMILES | CC(C=CC(=O)O)C1CCC(=O)O1 |
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| InChI Key | LBZCXRRVBHGITM-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 | carbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesmethyl-branched fatty acidsorganic oxidesoxacyclic compoundsshort-chain hydroxy acids and derivativestetrahydrofuransunsaturated fatty acids |
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| Substituents | carbonyl groupcarboxylic acidmethyl-branched fatty acidshort-chain hydroxy acidtetrahydrofuranheterocyclic fatty acidcarboxylic acid derivativebranched fatty acidgamma butyrolactonelactoneoxacycleunsaturated fatty acidorganic oxideorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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