| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:51 UTC |
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| Update Date | 2025-03-25 01:02:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253578 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H24O8 |
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| Molecular Mass | 368.1471 |
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| SMILES | O=C(CCC(O)Cc1ccc(O)c(O)c1)OC1CCCC(O)(C(=O)O)C1 |
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| InChI Key | WMQNHMPTJXJQEM-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 | cyclohexanols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha hydroxy acids and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclic alcohols and derivativesdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesorganic oxidestertiary alcohols |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxidecyclohexanolhydroxy acid1-hydroxy-4-unsubstituted benzenoidcyclic alcoholaromatic homomonocyclic compoundfatty acid estertertiary alcoholcarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoid |
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