input word = C00050543

Metabolite InformationStructural formula
Name Bruceine H
(-)-Yadanziolide A
Formula C20H26O10
Mw 426.15259705
CAS RN 95258-14-3
C_ID C00050543
InChIKey QXKKRGMRXXMDDP-JVDXBALSSA-N
InChICode InChI=1S/C20H26O10/c1-7-3-9(22)13(24)17(2)8(7)4-10-18-6-29-19(5-21,14(25)11(23)12(17)18)20(18,28)15(26)16(27)30-10/h3,8,10-15,21,23-26,28H,4-6H2,1-2H3/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(CO)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 javanica Ref.
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