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CHEBI:190091 - Primflaside

ChEBI IDCHEBI:190091
ChEBI NamePrimflaside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H36O20
Net Charge0
Average Mass728.609
Monoisotopic Mass728.17999
SMILESO=c1c(O[C@@H]2OC(CO)[C@@H](O[C@@H]3O[C@@H](CO)[C@@H](O)C3O[C@@H]3OC[C@H](O)C(O)C3O)C(O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
InChIInChI=1S/C31H36O20/c32-6-16-20(40)28(51-29-23(43)19(39)14(38)8-45-29)31(47-16)49-26-17(7-33)48-30(24(44)22(26)42)50-27-21(41)18-13(37)4-10(34)5-15(18)46-25(27)9-1-2-11(35)12(36)3-9/h1-5,14,16-17,19-20,22-24,26,28-40,42-44H,6-8H2/t14-,16-,17?,19?,20+,22?,23?,24+,26+,28?,29-,30-,31-/m0/s1
InChIKeyAYMOCTZRRTZPKB-KFPKLWJASA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
ChEBI Ontology
Outgoing Relation(s)
Primflaside (CHEBI:190091) is a flavonoids (CHEBI:72544)
Primflaside (CHEBI:190091) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[(2S,3R,5S)-3,4-dihydroxy-5-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)-3-[(2S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxolan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
Manual XrefsDatabases
24844925ChemSpider
LMPK12112205LIPID MAPS