| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:25 UTC |
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| Update Date | 2025-03-25 00:56:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218495 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12O6 |
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| Molecular Mass | 204.0634 |
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| SMILES | COC(=O)C(=CC(=O)O)C(O)C(C)O |
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| InChI Key | MMHJTWCKKDYDIJ-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 acyclic compounds |
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| Alternative Parents | 1,2-diolsbeta hydroxy acids and derivativesbranched fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmethyl estersorganic oxidessecondary alcoholsunsaturated fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidcarboxylic acid derivativemedium-chain hydroxy acidalpha,beta-unsaturated carboxylic esterunsaturated fatty acidbeta-hydroxy acidorganic oxidemethyl estermedium-chain fatty acidhydroxy fatty acid1,2-diolenoate esteralcoholbranched fatty acidfatty acid esterorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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