| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:28 UTC |
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| Update Date | 2025-03-25 00:52:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02193142 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18O7 |
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| Molecular Mass | 286.1053 |
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| SMILES | CCCC=CC=CC(=O)OC(C=O)C(O)C(O)C(=O)O |
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| InChI Key | TZEQGKBTENTITN-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 | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,2-diolsalpha hydroxy acids and derivativesalpha-acyloxy aldehydesbeta-hydroxy aldehydescarboxylic acidsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativeshydroxy fatty acidsmonosaccharidesorganic oxidessecondary alcoholsshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupbeta-hydroxy aldehydecarboxylic acidshort-chain hydroxy acidalpha-hydroxy acidmonosaccharidecarboxylic acid derivativealpha,beta-unsaturated carboxylic esterbeta-hydroxy acidsaccharideorganic oxidehydroxy fatty acidalpha-acyloxy aldehyde1,2-diolenoate esteralcoholaldehydefatty acid esterorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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