EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:140102 - rhamnocitrin 3-glucoside-4'-(2''-dihydrophaseoylglucoside)

ChEBI IDCHEBI:140102
ChEBI Namerhamnocitrin 3-glucoside-4'-(2''-dihydrophaseoylglucoside)
Stars
Last Modified13 February 2018
Submittermwilliams
DownloadsMolfile
FormulaC43H52O20
Net Charge0
Average Mass888.869
Monoisotopic Mass888.30519
SMILESCOc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO)[C@@H](O)C(O)C3O)c(-c3ccc(O[C@@H]4O[C@@H](CO)[C@@H](O)C(O)C4OC(=O)/C=C(C)\C=C\[C@]4(O)[C@@]5(C)CO[C@]4(C)C[C@@H](O)C5)cc3)oc2c1
InChIInChI=1S/C43H52O20/c1-19(9-10-43(55)41(2)14-21(46)15-42(43,3)57-18-41)11-28(48)62-38-34(53)31(50)27(17-45)61-40(38)58-22-7-5-20(6-8-22)36-37(63-39-35(54)33(52)30(49)26(16-44)60-39)32(51)29-24(47)12-23(56-4)13-25(29)59-36/h5-13,21,26-27,30-31,33-35,38-40,44-47,49-50,52-55H,14-18H2,1-4H3/b10-9+,19-11-/t21-,26+,27-,30+,31+,33?,34?,35?,38?,39-,40+,41+,42+,43-/m0/s1
InChIKeyPUGHVEFZEJLZSW-YIDMOUDLSA-N
ChEBI Ontology
Outgoing Relation(s)
rhamnocitrin 3-glucoside-4'-(2''-dihydrophaseoylglucoside) (CHEBI:140102) is a flavonoids (CHEBI:72544)
rhamnocitrin 3-glucoside-4'-(2''-dihydrophaseoylglucoside) (CHEBI:140102) is a glycoside (CHEBI:24400)
Manual XrefsDatabases
LMPK12112571LIPID MAPS