input word = C00003701

Metabolite InformationStructural formula
Name Bruceine B
Formula C23H28O11
Mw 480.16316174
CAS RN 25514-29-8
C_ID C00003701 ,
InChIKey YDWODLQEUPYKGJ-NUSOSCKUNA-N
InChICode InChI=1S/C23H28O11/c1-8-10-5-12-22-7-32-23(20(30)31-4,17(22)15(19(29)34-12)33-9(2)24)18(28)14(27)16(22)21(10,3)6-11(25)13(8)26/h10,12,14-18,26-28H,5-7H2,1-4H3/t10-,12+,14+,15+,16+,17+,18-,21-,22+,23-/m0/s1
SMILES C1(=O)C(=C([C@H]2[C@](C1)([C@@H]1[C@@]34[C@@H](C2)OC(=O)[C@@H]([C@H]3[C@@]([C@H]([C@@H]1O)O)(OC4)C(=O)OC)OC(=O)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeBrucea amarissima Ref.
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