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CHEBI:140099 - acacetin 7-O-[6''-O-glucosyl]-2''-O-(3'''-acetylrhamnosyl)glucoside

ChEBI IDCHEBI:140099
ChEBI Nameacacetin 7-O-[6''-O-glucosyl]-2''-O-(3'''-acetylrhamnosyl)glucoside
Stars
ASCII Nameacacetin 7-O-[6''-O-glucosyl]-2''-O-(3'''-acetylrhamnosyl)glucoside
Last Modified13 February 2018
Submittermwilliams
DownloadsMolfile
FormulaC36H44O20
Net Charge0
Average Mass796.728
Monoisotopic Mass796.24259
SMILESCOc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4OC(CO[C@@H]5OC(CO)[C@@H](O)C(O)[C@@H]5O)[C@@H](O)C(O)[C@@H]4O[C@@H]4OC(C)[C@H](O)[C@H](OC(C)=O)C4O)cc3o2)cc1
InChIInChI=1S/C36H44O20/c1-13-25(41)32(51-14(2)38)31(47)35(50-13)56-33-29(45)27(43)23(12-49-34-30(46)28(44)26(42)22(11-37)54-34)55-36(33)52-17-8-18(39)24-19(40)10-20(53-21(24)9-17)15-4-6-16(48-3)7-5-15/h4-10,13,22-23,25-37,39,41-47H,11-12H2,1-3H3/t13?,22?,23?,25-,26+,27+,28?,29?,30-,31?,32-,33-,34+,35-,36+/m0/s1
InChIKeyCQOUYNHJMDGOBI-KXDAAZSVSA-N
ChEBI Ontology
Outgoing Relation(s)
acacetin 7-O-[6''-O-glucosyl]-2''-O-(3'''-acetylrhamnosyl)glucoside (CHEBI:140099) is a flavonoids (CHEBI:72544)
acacetin 7-O-[6''-O-glucosyl]-2''-O-(3'''-acetylrhamnosyl)glucoside (CHEBI:140099) is a glycoside (CHEBI:24400)
Manual XrefsDatabases
LMPK12110459LIPID MAPS