| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:06 UTC |
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| Update Date | 2025-03-25 00:46:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158208 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H28O9 |
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| Molecular Mass | 412.1733 |
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| SMILES | C=CC(CCC(O)Cc1cc(O)cc(O)c1)OC1C(O)CC(O)(C(=O)O)CC1O |
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| InChI Key | XXELTKAGHLVLJE-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 benzenoidsalpha hydroxy acids and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidscyclohexanolsdialkyl ethersfatty alcoholshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesresorcinolstertiary alcohols |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupethercarboxylic acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativedialkyl etherresorcinolorganic oxidefatty alcoholcyclohexanolhydroxy acid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundtertiary alcoholmonocarboxylic acid or derivativessecondary alcoholphenolhydrocarbon derivativebenzenoidquinic acid |
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