| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:02 UTC |
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| Update Date | 2025-03-25 00:58:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02231059 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H24O6 |
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| Molecular Mass | 336.1573 |
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| SMILES | CCOC(=O)c1ccc(OC2OC(C(=O)O)C(C)C(C)C2C)cc1 |
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| InChI Key | MIAJPKHSXSANOA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | benzoic acid esters |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acids |
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| Substituents | phenol ethercarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundbenzoylbenzoate estercarboxylic acid derivativepyran carboxylic acidorganic oxideacetaloxaneorganoheterocyclic compoundpyran carboxylic acid or derivativesoxacycleorganic oxygen compoundpyrancarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativephenoxy compoundorganooxygen compound |
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