Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:16:31 UTC |
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Update Date | 2025-03-21 18:34:38 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00101777 |
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Frequency | 26.8 |
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Structure | |
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Chemical Formula | C13H16O8 |
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Molecular Mass | 300.0845 |
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SMILES | O=C(O)c1cccc(OC2OC(CO)C(O)C(O)C2O)c1 |
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InChI Key | QQYZSFSXSYHYIW-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 derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundsprimary alcoholssecondary alcohols |
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Substituents | phenol ethercarboxylic acidaromatic heteromonocyclic compoundbenzoylmonosaccharidecarboxylic acid derivativesaccharideorganic oxideacetalbenzoic acidoxaneprimary alcoholorganoheterocyclic compoundalcoholoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
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