| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:00 UTC |
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| Update Date | 2025-03-25 00:47:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162413 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H20O6 |
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| Molecular Mass | 308.126 |
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| SMILES | O=C(O)CC(=O)CCCCCCc1cccc(O)c1C(=O)O |
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| InChI Key | NSYUFCLOPBCGGR-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 benzenoidsbenzoic acidsbenzoyl derivativesbeta-hydroxy ketonesbeta-keto acids and derivativescarbocyclic fatty acidsdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain keto acids and derivativesorganic oxidesvinylogous acids |
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| Substituents | fatty acylbeta-hydroxy ketonecarbocyclic fatty acidcarbonyl groupcarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidsalicylic acidcarboxylic acid derivativebeta-keto acidketoneorganic oxidehydroxy fatty acid1-carboxy-2-haloaromatic compoundbenzoic acid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundvinylogous acidorganic oxygen compoundketo aciddicarboxylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compoundmedium-chain keto acid |
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