| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:39 UTC |
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| Update Date | 2025-03-25 00:48:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166273 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H22O7 |
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| Molecular Mass | 350.1366 |
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| SMILES | CC1CC(OC(=O)C=Cc2ccc(O)c(O)c2)OC(C)(C(=O)O)C1C |
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| InChI Key | WEFNGYNZIPIRDE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | cinnamic acids and derivatives |
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| Subclass | hydroxycinnamic acids and derivatives |
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| Direct Parent | hydroxycinnamic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acids |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativepyran carboxylic acidalpha,beta-unsaturated carboxylic esterorganic oxideacetaloxaneorganoheterocyclic compoundenoate esterpyran carboxylic acid or derivatives1-hydroxy-4-unsubstituted benzenoidhydroxycinnamic acidoxacyclefatty acid esterorganic oxygen compoundpyrancarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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