| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:12 UTC |
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| Update Date | 2025-03-25 00:58:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02231452 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H24O6 |
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| Molecular Mass | 348.1573 |
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| SMILES | CC1C(OC(=O)C=Cc2ccc(O)cc2)CC(O)(C(=O)O)C(C)C1C |
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| InChI Key | NHZNKLWACPUZOH-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 benzenoidsalpha hydroxy acids and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidscyclic alcohols and derivativescyclohexanolsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativeshydroxycinnamic acidsorganic oxidestertiary alcohols |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativehydroxycinnamic acid or derivativesalpha,beta-unsaturated carboxylic estercinnamic acid or derivativesorganic oxideenoate estercyclohexanolhydroxy acidhydroxycinnamic acidaromatic homomonocyclic compoundfatty acid estertertiary alcoholcarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidquinic acid |
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