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CHEBI:197133 - 6-Hydroxyluteoin-7-(6'''-p-coumarylsophoroside)

ChEBI IDCHEBI:197133
ChEBI Name6-Hydroxyluteoin-7-(6'''-p-coumarylsophoroside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H36O19
Net Charge0
Average Mass772.665
Monoisotopic Mass772.18508
SMILESO=C(/C=C/c1ccc(O)cc1)OCC1O[C@@H](OC2[C@H](Oc3cc4oc(-c5ccc(O)c(O)c5)cc(=O)c4c(O)c3O)OC(CO)[C@@H](O)[C@@H]2O)C(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C36H36O19/c37-12-23-28(44)32(48)34(55-35-33(49)31(47)29(45)24(54-35)13-50-25(42)8-3-14-1-5-16(38)6-2-14)36(53-23)52-22-11-21-26(30(46)27(22)43)19(41)10-20(51-21)15-4-7-17(39)18(40)9-15/h1-11,23-24,28-29,31-40,43-49H,12-13H2/b8-3+/t23?,24?,28-,29-,31+,32+,33?,34?,35+,36-/m1/s1
InChIKeyWGFOYPJYVNYXOJ-JJRGMJHVSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
6-Hydroxyluteoin-7-(6'''-p-coumarylsophoroside) (CHEBI:197133) is a flavonoids (CHEBI:72544)
6-Hydroxyluteoin-7-(6'''-p-coumarylsophoroside) (CHEBI:197133) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3S,4S,6S)-6-[(2S,4S,5S)-2-[2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
24844117ChemSpider
LMPK12111194LIPID MAPS