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CHEBI:190087 - Peruvianoside III

ChEBI IDCHEBI:190087
ChEBI NamePeruvianoside III
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H40O21
Net Charge0
Average Mass772.662
Monoisotopic Mass772.20621
SMILESCC1O[C@@H](OCC2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)[C@@H](O)[C@H]2O)[C@@H](O)C(O)[C@H]1O
InChIInChI=1S/C33H40O21/c1-9-19(39)23(43)26(46)31(49-9)48-8-17-21(41)25(45)30(54-32-27(47)24(44)20(40)16(7-34)51-32)33(52-17)53-29-22(42)18-14(38)5-11(35)6-15(18)50-28(29)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-21,23-27,30-41,43-47H,7-8H2,1H3/t9?,16?,17?,19-,20+,21-,23?,24-,25-,26-,27?,30?,31+,32-,33-/m0/s1
InChIKeyMNMUPTOJETVJCW-MADLQKIRSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
ChEBI Ontology
Outgoing Relation(s)
Peruvianoside III (CHEBI:190087) is a flavonoids (CHEBI:72544)
Peruvianoside III (CHEBI:190087) is a glycoside (CHEBI:24400)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-3-[(2S,4S,5R)-4,5-dihydroxy-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxychromen-4-one
Manual XrefsDatabases
LMPK12112243LIPID MAPS
24844963ChemSpider