| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:21 UTC |
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| Update Date | 2025-03-21 18:39:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00125490 |
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| Frequency | 20.4 |
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| Structure | |
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| Chemical Formula | C8H10O4 |
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| Molecular Mass | 170.0579 |
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| SMILES | O=C(O)CC=CC1CCC(=O)O1 |
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| InChI Key | HZQCKWZXGNEXQR-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 derivativesfatty acylsgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundsshort-chain hydroxy acids and derivativestetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidshort-chain hydroxy acidtetrahydrofuranheterocyclic fatty acidcarboxylic acid derivativegamma butyrolactonelactoneoxacycleorganic oxideorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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