| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:29 UTC |
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| Update Date | 2025-03-25 00:55:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02214066 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H32O7 |
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| Molecular Mass | 408.2148 |
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| SMILES | CCCCCCc1ccc(C(C)C(=O)OC2C(O)CC(O)(C(=O)O)CC2O)cc1 |
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| InChI Key | HSJACFZEXVKEBP-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 | alpha hydroxy acids and derivativesaromatic monoterpenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclohexanolsdicarboxylic acids and derivativeshydrocarbon derivativesmonocyclic monoterpenoidsorganic oxidestertiary alcohols |
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| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidalpha-hydroxy acidp-cymenecarboxylic acid derivativeorganic oxidecyclohexanolhydroxy acidaromatic homomonocyclic compoundtertiary alcoholcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidaromatic monoterpenoidquinic acid |
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