input word = C00012130

Metabolite InformationStructural formula
Name [1aR-(1aR*,5R*,7S*,10aS*,10bR*)]-5-(Acetyloxy)-8-[(acetyloxy)methyl]-2,3,6,7,10a,10b-hexahydro-1a,5-dimethyl-7-(1-oxopropoxy)-oxireno[9,10]cyclodeca[1,2-b]furan-4,9(1aH,5H)-dione
Formula C22H28O10
Mw 452.16824712
CAS RN 79081-71-3
C_ID C00012130 ,
InChIKey NLBVKOUQJBBHNV-MFADDKSJNA-N
InChICode InChI=1S/C22H28O10/c1-6-16(26)29-14-9-22(5,31-12(3)24)15(25)7-8-21(4)19(32-21)18-17(14)13(20(27)30-18)10-28-11(2)23/h14,18-19H,6-10H2,1-5H3/t14-,18-,19+,21+,22+/m0/s1
SMILES [C@@H]1(C[C@](C(=O)CC[C@@]2([C@@H]([C@@H]3C1=C(C(=O)O3)COC(=O)C)O2)C)(OC(=O)C)C)OC(=O)CC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeVernonia scorpioides Ref.
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OrganismVernonia scorpioides
ReferenceCowall,J.Org.Chem.,46,(1981),1108

Herz,Phytochem.,22,(1983),1286