CHEBI:141132 - quercetin 3-O-(6''-malonyl-glucoside) 7-O-glucoside

ChEBI IDCHEBI:141132
ChEBI Namequercetin 3-O-(6''-malonyl-glucoside) 7-O-glucoside
Stars
ASCII Namequercetin 3-O-(6''-malonyl-glucoside) 7-O-glucoside
Last Modified22 June 2018
Submittermwilliams
DownloadsMolfile
FormulaC30H32O20
Net Charge0
Average Mass712.566
Monoisotopic Mass712.14869
SMILESO=C(O)CC(=O)OCC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(OC4OC(CO)C(O)C(O)C4O)cc(O)c3c2=O)C(O)C(O)C1O
InChIInChI=1S/C30H32O20/c31-7-15-20(38)23(41)25(43)29(48-15)46-10-4-13(34)19-14(5-10)47-27(9-1-2-11(32)12(33)3-9)28(22(19)40)50-30-26(44)24(42)21(39)16(49-30)8-45-18(37)6-17(35)36/h1-5,15-16,20-21,23-26,29-34,38-39,41-44H,6-8H2,(H,35,36)
InChIKeyZLQYEKDHCDLAGO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
quercetin 3-O-(6''-malonyl-glucoside) 7-O-glucoside (CHEBI:141132) is a quercetin O-glucoside (CHEBI:64621)