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CHEBI:188285 - Patuletin 3-rhamnoside-7-(3''',4'''-diacetylrhamnoside)

ChEBI IDCHEBI:188285
ChEBI NamePatuletin 3-rhamnoside-7-(3''',4'''-diacetylrhamnoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H36O18
Net Charge0
Average Mass708.622
Monoisotopic Mass708.19016
SMILESCOc1c(O[C@@H]2OC(C)[C@H](OC(C)=O)[C@H](OC(C)=O)C2O)cc2oc(-c3ccc(O)c(O)c3)c(O[C@@H]3OC(C)[C@H](O)C(O)[C@@H]3O)c(=O)c2c1O
InChIInChI=1S/C32H36O18/c1-10-20(37)23(40)24(41)31(44-10)50-29-22(39)19-17(48-27(29)14-6-7-15(35)16(36)8-14)9-18(28(43-5)21(19)38)49-32-25(42)30(47-13(4)34)26(11(2)45-32)46-12(3)33/h6-11,20,23-26,30-32,35-38,40-42H,1-5H3/t10?,11?,20-,23?,24-,25?,26-,30+,31-,32-/m0/s1
InChIKeyAZUUVSJJSGCVGM-RBCBEAEVSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
Patuletin 3-rhamnoside-7-(3''',4'''-diacetylrhamnoside) (CHEBI:188285) is a flavonoids (CHEBI:72544)
Patuletin 3-rhamnoside-7-(3''',4'''-diacetylrhamnoside) (CHEBI:188285) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3S,4R,6S)-4-acetyloxy-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-4-oxo-3-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-7-yl]oxy-5-hydroxy-2-methyloxan-3-yl] acetate
Manual XrefsDatabases
LMPK12112952LIPID MAPS
24845549ChemSpider