input word = C00012087

Metabolite InformationStructural formula
Name [3aS-(3aR*,4R*,5R*,6S*,10R*,11aS*)]- 5-(Acetyloxy)-2,3,3a,4,5,6,7,10,11,11a-decahydro-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca[b]furan-4-yl ester 2-methyl-2-propenoic acid
Formula C21H24O8
Mw 404.14711774
CAS RN 89396-27-0
C_ID C00012087 ,
InChIKey AZJNEENXQPHAPR-WRESZJMDNA-N
InChICode InChI=1S/C21H24O8/c1-9(2)19(24)28-17-16-11(4)20(25)27-14(16)7-10(3)13-8-15(23)21(6,29-13)18(17)26-12(5)22/h8,10,14,16-18H,1,4,7H2,2-3,5-6H3/t10-,14+,16-,17-,18-,21-/m0/s1
SMILES C1[C@@H](C2=CC(=O)[C@@]([C@H]([C@H]([C@@H]3[C@@H]1OC(=O)C3=C)OC(=O)C(=C)C)OC(=O)C)(O2)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTrichogonia prancii Ref.
zoom in