input word = C00037092

Metabolite InformationStructural formula
Name Embelinone
(-)-Embelinone
Formula C30H46O3
Mw 454.34469533
CAS RN 538357-88-9
C_ID C00037092 ,
InChIKey LFGMPZUAVBUIDP-FTEBRANYNA-N
InChICode InChI=1S/C30H46O3/c1-24(2)14-15-29-18-33-30(21(29)16-24)13-9-20-26(5)11-10-22(31)25(3,4)19(26)8-12-27(20,6)28(30,7)17-23(29)32/h19-21H,8-18H2,1-7H3/t19-,20+,21+,26-,27+,28-,29+,30-/m0/s1
SMILES CC1(C)CC[C@]23CO[C@@]4(CC[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)CC2=O)[C@@H]3C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrsinaceaeEmbelia schimperi Ref.
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OrganismEmbelia schimperi
ReferenceMachocho,Phytochem.,62,(2003),573