input word = C00035898

Metabolite InformationStructural formula
Name Yadanzioside B
Formula C32H44O17
Mw 700.25784998
CAS RN 95258-18-7
C_ID C00035898 ,
InChIKey SGURIWCFZLQKRV-PCOBGZORNA-N
InChICode InChI=1S/C32H44O17/c1-6-10(2)26(41)48-21-23-31-9-45-32(23,29(43)44-5)25(40)19(38)22(31)30(4)12(7-14(31)47-27(21)42)11(3)20(18(37)24(30)39)49-28-17(36)16(35)15(34)13(8-33)46-28/h10,12-17,19,21-25,28,33-36,38-40H,6-9H2,1-5H3/t10-,12-,13+,14+,15+,16-,17+,19+,21+,22+,23+,24+,25-,28-,30-,31+,32-/m0/s1
SMILES C1(=O)C(=C([C@H]2[C@]([C@@H]1O)([C@@H]1[C@@]34[C@@H](C2)OC(=O)[C@@H]([C@H]3[C@]([C@H]([C@@H]1O)O)(C(=O)OC)OC4)OC(=O)[C@H](CC)C)C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeBrucea amarissima (Lour.) Desv.ex B.A.Gomes Ref.
PlantaeSimaroubaceaeBrucea javanica Ref.
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