| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:03 UTC |
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| Update Date | 2025-03-21 18:29:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00079151 |
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| Frequency | 36.9 |
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| Structure | |
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| Chemical Formula | C17H24O11 |
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| Molecular Mass | 404.1319 |
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| SMILES | O=C(CCC(O)Cc1cc(O)c(O)c(O)c1)OC1C(O)C(O)C(O)C(O)C1O |
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| InChI Key | OBVFCLRRONKLBW-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 | phenols |
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| Subclass | benzenetriols and derivatives |
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| Direct Parent | pyrogallols and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acid esterscyclitols and derivativescyclohexanolsfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | alcoholfatty acylmonocyclic benzene moietycarbonyl grouppyrogallol derivativecyclohexanol1-hydroxy-2-unsubstituted benzenoidcyclitol or derivatives1-hydroxy-4-unsubstituted benzenoidcyclic alcoholcarboxylic acid derivativearomatic homomonocyclic compoundfatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganooxygen compound |
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