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CHEBI:169551 - orientin 2''-O-xyloside-6''-ferulate
| Formula | C36H36O18 |
| Net Charge | 0 |
| Average Mass | 756.666 |
| Monoisotopic Mass | 756.19016 |
| SMILES | COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc34)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)ccc1O |
| InChI | InChI=1S/C36H36O18/c1-49-24-8-14(2-5-17(24)38)3-7-26(44)50-13-25-30(46)31(47)35(54-36-32(48)29(45)22(43)12-51-36)34(53-25)28-20(41)10-19(40)27-21(42)11-23(52-33(27)28)15-4-6-16(37)18(39)9-15/h2-11,22,25,29-32,34-41,43,45-48H,12-13H2,1H3/b7-3+/t22-,25-,29+,30-,31+,32-,34+,35-,36+/m1/s1 |
| InChIKey | UUPRXDTUNKUSFL-IRVFRRKGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Malus domestica (ncbitaxon:3750) | exocarp (BTO:0000733) | MetaboLights (MTBLS2384) | Strain: Malus x domestica Borkh. cv. Ruixue |
| Setaria italica (ncbitaxon:4555) | leaf (BTO:0000713) | DOI (10.1016/S0031-9422(00)98008-7) |
| Roles Classification |
|---|
| Biological Role: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| orientin 2''-O-xyloside-6''-ferulate (CHEBI:169551) has functional parent trans-ferulic acid (CHEBI:17620) |
| orientin 2''-O-xyloside-6''-ferulate (CHEBI:169551) has functional parent orientin (CHEBI:7781) |
| orientin 2''-O-xyloside-6''-ferulate (CHEBI:169551) has role plant metabolite (CHEBI:76924) |
| orientin 2''-O-xyloside-6''-ferulate (CHEBI:169551) is a C-glycosyl compound (CHEBI:20857) |
| orientin 2''-O-xyloside-6''-ferulate (CHEBI:169551) is a cinnamate ester (CHEBI:36087) |
| orientin 2''-O-xyloside-6''-ferulate (CHEBI:169551) is a tetrahydroxyflavone (CHEBI:38684) |
| IUPAC Name |
|---|
| (1S)-1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-8-yl]-6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-2-O-β-D-xylopyranosyl-D-glucitol |
| Synonym | Source |
|---|---|
| orientin 6''-O-(E)-ferulyl-2''-O-xyloside | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| 115269452 | ChemSpider |
| LMPK12110513 | LIPID MAPS |