| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:21 UTC |
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| Update Date | 2025-03-25 00:48:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02170103 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H35NO13 |
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| Molecular Mass | 533.2108 |
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| SMILES | CC(=O)NC1C(O)CC(CO)(OCOC(=O)CCC(O)Cc2ccc(O)c(O)c2)OC1C(O)C(O)CO |
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| InChI Key | DDDOXNASTKLPCA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acid esters |
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| Direct Parent | fatty acid esters |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetamidesbenzene and substituted derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativesketalsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxideacetalketalorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamidealcohol1-hydroxy-4-unsubstituted benzenoidcarboxamide groupoxacyclesecondary carboxylic acid amidefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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