| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:24 UTC |
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| Update Date | 2025-03-25 00:46:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156718 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O7 |
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| Molecular Mass | 284.0896 |
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| SMILES | O=C1CCC(O)Cc2c(O)cc(O)cc2OC(O)CO1 |
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| InChI Key | FCVRKXDKGICTDY-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 | 1-hydroxy-2-unsubstituted benzenoids |
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| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsbenzenoidscarbonyl compoundscarboxylic acid estershemiacetalshydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundssecondary alcohols |
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| Substituents | alcoholcarbonyl group1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundcarboxylic acid estersecondary alcoholhemiacetalhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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