input word = C00003702

Metabolite InformationStructural formula
Name Bruceine D
Formula C20H26O9
Mw 410.15768243
CAS RN 21499-66-1
C_ID C00003702 ,
InChIKey JBDMZGKDLMGOFR-DNMSZDSINA-N
InChICode InChI=1S/C20H26O9/c1-7-4-9(21)13(23)17(2)8(7)5-10-19-6-28-18(3,14(24)11(22)12(17)19)20(19,27)15(25)16(26)29-10/h4,8,10-15,22-25,27H,5-6H2,1-3H3/t8-,10+,11+,12+,13+,14-,15-,17-,18+,19+,20+/m0/s1
SMILES CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(C)OC[C@@]35[C@@H](C[C@@H]12)OC(=O)[C@H](O)[C@]54O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeBrucea amarissima Ref.
PlantaeSimaroubaceaeBrucea sumatrana Ref.
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