| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:47 UTC |
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| Update Date | 2025-03-25 00:48:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166550 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H18O8 |
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| Molecular Mass | 326.1002 |
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| SMILES | CC(=O)OCC1OC(OC(=O)c2ccccc2)C(O)C(O)C1O |
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| InChI Key | TUTTWTHAEOODSD-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 acid esters |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsbenzoyl derivativescarbonyl compoundscarboxylic acid estersdicarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanessecondary alcohols |
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| Substituents | alcoholcarbonyl grouparomatic heteromonocyclic compoundbenzoylmonosaccharidebenzoate estercarboxylic acid derivativeoxacyclesaccharideorganic oxideorganic oxygen compoundacetalcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeoxaneorganoheterocyclic compoundorganooxygen compound |
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