| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:07 UTC |
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| Update Date | 2025-03-21 18:41:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00134305 |
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| Frequency | 18.7 |
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| Structure | |
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| Chemical Formula | C16H22O6 |
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| Molecular Mass | 310.1416 |
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| SMILES | CCC(CCC(C)O)COC(=O)c1c(O)cccc1C(=O)O |
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| InChI Key | AEORCMPWISQLNK-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 | o-hydroxybenzoic acid esters |
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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 derivativescarboxylic acid estersdicarboxylic acids and derivativesfatty alcoholshydrocarbon derivativesorganic oxidessalicylic acid and derivativessecondary alcoholsvinylogous acids |
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| Substituents | fatty acylcarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxidefatty alcohol1-carboxy-2-haloaromatic compoundbenzoic acidalcohol1-hydroxy-4-unsubstituted benzenoidhydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid estercarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
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