| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:16 UTC |
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| Update Date | 2025-03-25 00:47:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163064 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H20O9 |
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| Molecular Mass | 368.1107 |
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| SMILES | O=C(CCC(=O)c1cccc(O)c1)OC1C(O)CC(O)(C(=O)O)CC1O |
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| InChI Key | YJXJDYOEBJYWNE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | alcohols and polyols |
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| Direct Parent | quinic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl-phenylketonesalpha hydroxy acids and derivativesaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acid esterscarboxylic acidscyclohexanolsdicarboxylic acids and derivativesfatty acid estersgamma-keto acids and derivativeshydrocarbon derivativesorganic oxidestertiary alcohols |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaryl alkyl ketonealpha-hydroxy acidbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeketoneorganic oxidecyclohexanolhydroxy acid1-hydroxy-4-unsubstituted benzenoidphenylketonegamma-keto acidbutyrophenonearomatic homomonocyclic compoundfatty acid estertertiary alcoholketo acidcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidalkyl-phenylketonearyl ketonequinic acid |
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