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CHEBI:80469 - Albireodelphin

ChEBI IDCHEBI:80469
ChEBI NameAlbireodelphin
Stars
DownloadsMolfile
FormulaC42H47O25
Net Charge+1
Average Mass951.813
Monoisotopic Mass951.24009
SMILESO=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](Oc2cc(O)cc3[o+]c(-c4cc(O)c(O)c(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c4)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc23)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C42H46O25/c43-11-25-30(51)33(54)36(57)41(65-25)63-23-7-15(6-20(48)29(23)50)39-24(64-42-37(58)34(55)31(52)26(12-44)66-42)10-17-21(61-39)8-16(45)9-22(17)62-40-38(59)35(56)32(53)27(67-40)13-60-28(49)4-2-14-1-3-18(46)19(47)5-14/h1-10,25-27,30-38,40-44,51-59H,11-13H2,(H4-,45,46,47,48,49,50)/p+1/t25-,26-,27-,30-,31-,32-,33+,34+,35+,36-,37-,38-,40-,41-,42-/m1/s1
InChIKeyBIBNUKILYWNEFA-XQCSBWSISA-O
ChEBI Ontology
Outgoing Relation(s)
Albireodelphin (CHEBI:80469) is a anthocyanidin glycoside (CHEBI:71583)
Manual XrefsDatabases
C16354KEGG COMPOUND