| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:09 UTC |
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| Update Date | 2025-03-21 18:07:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00067278 |
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| Frequency | 45.2 |
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| Structure | |
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| Chemical Formula | C16H22O6 |
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| Molecular Mass | 310.1416 |
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| SMILES | CC1C(Oc2ccc(C(=O)O)cc2)OC(C(O)O)C(C)C1C |
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| InChI Key | OVXXIPYEWWLDGZ-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 acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsbenzoyl derivativescarbonyl hydratescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compounds |
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| Substituents | phenol ethercarboxylic acidcarbonyl hydratearomatic heteromonocyclic compoundbenzoylcarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacetalhydrocarbon derivativebenzoic acidphenoxy compoundoxaneorganoheterocyclic compoundorganooxygen compound |
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