| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:46 UTC |
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| Update Date | 2025-03-25 00:49:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175650 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16O6 |
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| Molecular Mass | 280.0947 |
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| SMILES | O=C(O)C(=O)CCCCCc1cccc(O)c1C(=O)O |
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| InChI Key | UQJILDKDEBYFOB-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 ketonesalpha-keto acids and derivativesbenzoic acidsbenzoyl derivativescarbocyclic fatty acidsdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain keto acids and derivativesorganic oxidesvinylogous acids |
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| Substituents | fatty acylcarbocyclic fatty acidcarbonyl groupcarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidsalicylic acidalpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxidealpha-keto acidhydroxy 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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