| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:18 UTC |
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| Update Date | 2025-03-25 00:58:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233992 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16O7 |
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| Molecular Mass | 296.0896 |
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| SMILES | O=C(O)C=Cc1ccc(OC2OCC(O)C(O)C2O)cc1 |
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| InChI Key | VGBOOAJOUIRUHP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | cinnamic acids and derivatives |
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| Subclass | cinnamic acids and derivatives |
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| Direct Parent | cinnamic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundssecondary alcohols |
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| Substituents | alcoholphenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundmonosaccharidecarboxylic acid derivativeoxacyclecinnamic acid or derivativessaccharideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacetalsecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundoxaneorganoheterocyclic compoundorganooxygen compound |
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