| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:58 UTC |
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| Update Date | 2025-03-25 00:55:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02215098 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16O4 |
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| Molecular Mass | 224.1049 |
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| SMILES | CC1C=CC(=O)OC1CC=CCCC(=O)O |
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| InChI Key | ISWKUOMBHPKVRW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | hydroxy acids and derivatives |
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| Subclass | medium-chain hydroxy acids and derivatives |
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| Direct Parent | medium-chain hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesdihydropyranonesenoate estersfatty acylsheterocyclic fatty acidshydrocarbon derivativeslactonesmedium-chain fatty acidsorganic oxidesoxacyclic compounds |
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| Substituents | enoate esterfatty acylcarbonyl groupcarboxylic aciddihydropyranoneheterocyclic fatty acidcarboxylic acid derivativemedium-chain hydroxy acidlactoneoxacyclealpha,beta-unsaturated carboxylic esterorganic oxideorganic oxygen compoundpyrancarboxylic acid esteraliphatic heteromonocyclic compoundpyranonedicarboxylic acid or derivativeshydrocarbon derivativemedium-chain fatty acidorganoheterocyclic compoundorganooxygen compound |
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