| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:47 UTC |
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| Update Date | 2025-03-25 00:54:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207604 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H18O10 |
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| Molecular Mass | 370.09 |
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| SMILES | O=C(C=Cc1ccc(O)c(O)c1)OC1CC(OO)(C(=O)O)CC(O)C1O |
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| InChI Key | SNDCCBUFFVNYGK-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 | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl hydroperoxidesbenzene and substituted derivativescarbonyl compoundscarboxylic acidscyclohexanolsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativeshydroxycinnamic acidsorganic oxidesperoxols |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidhydroperoxidecarboxylic acid derivativehydroxycinnamic acid or derivativesalpha,beta-unsaturated carboxylic estercinnamic acid or derivativesorganic oxidealkyl hydroperoxide1,2-diolenoate estercyclohexanol1-hydroxy-4-unsubstituted benzenoidperoxolhydroxycinnamic acidaromatic homomonocyclic compoundfatty acid estercarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidquinic acid |
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