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CHEBI:182326 - 3,5-Dihydroxy-4-[3,4,5-trihydroxy-6-[[4-(2-hydroxypropan-2-yl)cyclohexene-1-carbonyl]oxymethyl]oxan-2-yl]oxybenzoic acid
| Formula | C23H30O12 |
| Net Charge | 0 |
| Average Mass | 498.481 |
| Monoisotopic Mass | 498.17373 |
| SMILES | CC(C)(O)C1CC=C(C(=O)OCC2OC(Oc3c(O)cc(C(=O)O)cc3O)C(O)C(O)C2O)CC1 |
| InChI | InChI=1S/C23H30O12/c1-23(2,32)12-5-3-10(4-6-12)21(31)33-9-15-16(26)17(27)18(28)22(34-15)35-19-13(24)7-11(20(29)30)8-14(19)25/h3,7-8,12,15-18,22,24-28,32H,4-6,9H2,1-2H3,(H,29,30) |
| InChIKey | PEERGVFNQUXNQA-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | small intestine (BTO:0000651) | MetaboLights (MTBLS3486) | Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424] |
| Nippostrongylus brasiliensis (ncbitaxon:27835) | Whole Organism (NCIT:C13413) | MetaboLights (MTBLS3486) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3,5-Dihydroxy-4-[3,4,5-trihydroxy-6-[[4-(2-hydroxypropan-2-yl)cyclohexene-1-carbonyl]oxymethyl]oxan-2-yl]oxybenzoic acid (CHEBI:182326) is a lipopolysaccharide (CHEBI:16412) |
| IUPAC Name |
|---|
| 3,5-dihydroxy-4-[3,4,5-trihydroxy-6-[[4-(2-hydroxypropan-2-yl)cyclohexene-1-carbonyl]oxymethyl]oxan-2-yl]oxybenzoic acid |
| Manual Xrefs | Databases |
|---|---|
| 22370264 | ChemSpider |