| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:07 UTC |
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| Update Date | 2025-03-25 00:53:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199238 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H24O6 |
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| Molecular Mass | 324.1573 |
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| SMILES | O=C(O)c1c(O)cccc1CCCCCCCCC(O)C(=O)O |
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| InChI Key | YHEYDKOXYAAQKT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | salicylic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha hydroxy acids and derivativesbenzoic acidsbenzoyl derivativescarbocyclic fatty acidscarbonyl compoundsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonosaccharidesorganic oxidessecondary alcoholsvinylogous acids |
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| Substituents | fatty acylcarbocyclic fatty acidcarbonyl groupcarboxylic acidalpha-hydroxy acidbenzoyl1-hydroxy-2-unsubstituted benzenoidmonosaccharidefatty acidsalicylic acidcarboxylic acid derivativemedium-chain hydroxy acidsaccharideorganic oxidemedium-chain fatty acidhydroxy fatty acid1-carboxy-2-haloaromatic compoundbenzoic acidalcoholhydroxy acid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundvinylogous acidorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
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