input word = C00031589

Metabolite InformationStructural formula
Name Albibrissinoside A
Formula C29H38O17
Mw 658.21089979
CAS RN 848487-35-4
C_ID C00031589 ,
InChIKey LBCYGUJDJLOLKR-BFLRBKNJNA-N
InChICode InChI=1S/C29H38O17/c1-37-15-6-13(7-16(38-2)20(15)31)26(35)42-11-29(36)12-43-28(25(29)34)46-24-22(33)21(32)19(10-30)45-27(24)44-14-8-17(39-3)23(41-5)18(9-14)40-4/h6-9,19,21-22,24-25,27-28,30-34,36H,10-12H2,1-5H3/t19-,21-,22+,24-,25+,27-,28+,29-/m1/s1
SMILES [C@H]1([C@H]([C@@H]([C@H](O[C@H]1Oc1cc(c(c(c1)OC)OC)OC)CO)O)O)O[C@@H]1OC[C@@]([C@H]1O)(COC(=O)c1cc(c(c(c1)OC)O)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAlbizzia julibrissin Ref.
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