input word = C00035813

Metabolite InformationStructural formula
Name Brucein E
Formula C20H28O9
Mw 412.17333249
CAS RN 21586-90-3
C_ID C00035813 ,
InChIKey ZBXITHPYBBXZRG-OMBOAEHXNA-N
InChICode InChI=1S/C20H28O9/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/h4,8-15,21-25,27H,5-6H2,1-3H3/t8-,9-,10+,11+,12+,13+,14-,15-,17-,18+,19+,20+/m0/s1
SMILES CC1=C[C@H](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 (Lour.) Desv.ex B.A.Gomes Ref.
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