| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:13 UTC |
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| Update Date | 2025-03-25 01:00:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240606 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18O8 |
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| Molecular Mass | 314.1002 |
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| SMILES | CC(=O)c1c(O)cccc1OC1OC(CO)C(O)C(O)C1O |
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| InChI Key | VXNVOYRAYBBNPE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsacetophenonesaryl alkyl ketonesbenzoyl derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundsprimary alcoholssecondary alcoholsvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietyaryl alkyl ketonearomatic heteromonocyclic compoundbenzoyl1-hydroxy-2-unsubstituted benzenoidmonosaccharidesaccharideorganic oxideacetalacetophenoneoxaneprimary alcoholorganoheterocyclic compoundalcohol1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidsecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundalkyl-phenylketone |
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