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CHEBI:192386 - Isorhamnetin 3-(3'',6''-di-p-coumarylglucoside)

ChEBI IDCHEBI:192386
ChEBI NameIsorhamnetin 3-(3'',6''-di-p-coumarylglucoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H34O16
Net Charge0
Average Mass770.696
Monoisotopic Mass770.18469
SMILESCOc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)C(OC(=O)/C=C/c3ccc(O)cc3)C2O)ccc1O
InChIInChI=1S/C40H34O16/c1-51-28-16-22(8-13-26(28)44)37-39(35(49)33-27(45)17-25(43)18-29(33)53-37)56-40-36(50)38(55-32(47)15-7-21-4-11-24(42)12-5-21)34(48)30(54-40)19-52-31(46)14-6-20-2-9-23(41)10-3-20/h2-18,30,34,36,38,40-45,48,50H,19H2,1H3/b14-6+,15-7+/t30-,34-,36?,38?,40+/m1/s1
InChIKeyCQKFGYQBBQNDQG-UJHJBQAMSA-N
Species of MetaboliteComponentSourceComments
Pinus radiata (ncbitaxon:3347) leaf (BTO:0000713) MetaboLights (MTBLS4567)
ChEBI Ontology
Outgoing Relation(s)
Isorhamnetin 3-(3'',6''-di-p-coumarylglucoside) (CHEBI:192386) is a flavonoid (CHEBI:47916)
Isorhamnetin 3-(3'',6''-di-p-coumarylglucoside) (CHEBI:192386) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2R,3R,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxy-3,5-dihydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
LMPK12110593LIPID MAPS
24843628ChemSpider