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 C1(=O)C=C([C@H]2[C@]([C@@H]1O)([C@@H]1[C@@]34[C@@H](C2)OC(=O)[C@@H]([C@]3([C@@]([C@H]([C@@H]1O)O)(OC4)C)O)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeBrucea amarissima Ref.
PlantaeSimaroubaceaeBrucea sumatrana Ref.
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OrganismBrucea sumatrana
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter58