input word = C00012696

Metabolite InformationStructural formula
Name 3-O-Angeloylcuauhtemone
Cuauhtemone-3-angelicate
[1S-[1alpha,2alpha(Z),4abeta,8aalpha]]-Decahydro-1-hydroxy-1,4a-dimethyl-7-(1-methylethylidene)-6-oxo-2-naphthalenyl ester 2-methyl-2-butenoic acid
Formula C20H30O4
Mw 334.21440945
CAS RN 60756-54-9
C_ID C00012696 ,
InChIKey KNSVBXYIPSLXCS-CLWGJGLQNA-N
InChICode InChI=1S/C20H30O4/c1-7-13(4)18(22)24-17-8-9-19(5)11-15(21)14(12(2)3)10-16(19)20(17,6)23/h7,16-17,23H,8-11H2,1-6H3/b13-7-/t16-,17-,19-,20+/m1/s1
SMILES C1[C@]2([C@H]([C@@]([C@@H](C1)OC(=O)/C(=C\C)/C)(O)C)CC(=C(C)C)C(=O)C2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePluchea odorata Ref.
zoom in