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CHEBI:168565 - Isorhamnetin 3-(4''',6'''-diacetylglucosyl) (1->3)-galactoside

ChEBI IDCHEBI:168565
ChEBI NameIsorhamnetin 3-(4''',6'''-diacetylglucosyl) (1->3)-galactoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H36O19
Net Charge0
Average Mass724.621
Monoisotopic Mass724.18508
SMILESCOc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2OC(CO)[C@@H](O)C(O[C@@H]3OC(COC(C)=O)[C@@H](OC(C)=O)C(O)C3O)[C@H]2O)ccc1O
InChIInChI=1S/C32H36O19/c1-11(34)45-10-20-28(46-12(2)35)24(41)25(42)31(49-20)50-29-22(39)19(9-33)48-32(26(29)43)51-30-23(40)21-16(38)7-14(36)8-18(21)47-27(30)13-4-5-15(37)17(6-13)44-3/h4-8,19-20,22,24-26,28-29,31-33,36-39,41-43H,9-10H2,1-3H3/t19?,20?,22-,24?,25?,26-,28-,29?,31+,32+/m1/s1
InChIKeyUAIFJJZKHMRAFH-NCJHWVFHSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Isorhamnetin 3-(4''',6'''-diacetylglucosyl) (1->3)-galactoside (CHEBI:168565) is a flavonoids (CHEBI:72544)
Isorhamnetin 3-(4''',6'''-diacetylglucosyl) (1->3)-galactoside (CHEBI:168565) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3S,6S)-3-acetyloxy-6-[(2S,3R,5R)-2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxyoxan-2-yl]methyl acetate
Manual XrefsDatabases
LMPK12112336LIPID MAPS
24845031ChemSpider