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CHEBI:192881 - Isorhamnetin 3-(6'''-acetylglucosyl)(1->6)-galactoside

ChEBI IDCHEBI:192881
ChEBI NameIsorhamnetin 3-(6'''-acetylglucosyl)(1->6)-galactoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H34O18
Net Charge0
Average Mass682.584
Monoisotopic Mass682.17451
SMILESCOc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2OC(CO[C@@H]3OC(COC(C)=O)[C@@H](O)C(O)[C@H]3O)[C@H](O)C(O)C2O)ccc1O
InChIInChI=1S/C30H34O18/c1-10(31)43-8-17-20(35)23(38)25(40)29(46-17)44-9-18-21(36)24(39)26(41)30(47-18)48-28-22(37)19-14(34)6-12(32)7-16(19)45-27(28)11-3-4-13(33)15(5-11)42-2/h3-7,17-18,20-21,23-26,29-30,32-36,38-41H,8-9H2,1-2H3/t17?,18?,20-,21+,23?,24?,25-,26?,29-,30+/m1/s1
InChIKeyHKKNCPBKBDCHTJ-BJDIMNSYSA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS3183) Strain: Cryptomeria fortunei Hooibrenk
ChEBI Ontology
Outgoing Relation(s)
Isorhamnetin 3-(6'''-acetylglucosyl)(1->6)-galactoside (CHEBI:192881) is a flavonoids (CHEBI:72544)
Isorhamnetin 3-(6'''-acetylglucosyl)(1->6)-galactoside (CHEBI:192881) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3S,5R,6R)-6-[[(3R,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Manual XrefsDatabases
24845032ChemSpider
LMPK12112337LIPID MAPS