input word = C00043188

Metabolite InformationStructural formula
Name 3-Epiabruslactone A
Formula C30H46O3
Mw 454.34469533
CAS RN 158204-43-4
C_ID C00043188 ,
InChIKey HHQJBWYXBWOFJY-OLFKKQCUNA-N
InChICode InChI=1S/C30H46O3/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3)17-23(33-24(26)32)27(19,4)14-15-29(18,30)6/h8,19-23,31H,9-17H2,1-7H3/t19-,20-,21+,22+,23-,26-,27+,28-,29+,30+/m0/s1
SMILES CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC=C4[C@@H]5C[C@@]6(C)C[C@H](OC6=O)[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeMaytenus loevis Ref.
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