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CHEBI:197021 - Anhydroicaritin 3-rhamnosyl-(1->2)-rhamnoside

ChEBI IDCHEBI:197021
ChEBI NameAnhydroicaritin 3-rhamnosyl-(1->2)-rhamnoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H40O14
Net Charge0
Average Mass660.669
Monoisotopic Mass660.24181
SMILESCOc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O[C@@H]2OC(C)[C@H](O)C(O)[C@@H]2O[C@@H]2OC(C)[C@H](O)C(O)[C@@H]2O)cc1
InChIInChI=1S/C33H40O14/c1-13(2)6-11-18-19(34)12-20(35)21-24(38)30(28(45-29(18)21)16-7-9-17(42-5)10-8-16)46-33-31(26(40)23(37)15(4)44-33)47-32-27(41)25(39)22(36)14(3)43-32/h6-10,12,14-15,22-23,25-27,31-37,39-41H,11H2,1-5H3/t14?,15?,22-,23-,25?,26?,27-,31-,32-,33-/m0/s1
InChIKeyTVBJKPLTBPGHDJ-BJHUNLLKSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
Anhydroicaritin 3-rhamnosyl-(1->2)-rhamnoside (CHEBI:197021) is a flavonoids (CHEBI:72544)
Anhydroicaritin 3-rhamnosyl-(1->2)-rhamnoside (CHEBI:197021) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[(2S,3S,5R)-4,5-dihydroxy-6-methyl-3-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
Manual XrefsDatabases
24844734ChemSpider
LMPK12112007LIPID MAPS