input word = C00011787

Metabolite InformationStructural formula
Name [3aR-[3aR*,4R*[E(E)],6E,9R*,10Z,11aR*]]-2-[[(2,3,3a,4,5,8,9,11a-Octahydro-9-hydroxy-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl)oxy]carbonyl]-2-butenyl ester 2-(hydroxymethyl)-2-butenoic acid
Formula C25H32O8
Mw 460.209718
CAS RN 72057-03-5
C_ID C00011787 ,
InChIKey VZIHXHDXSDCOCX-NRLITUIPNA-N
InChICode InChI=1S/C25H32O8/c1-6-17(12-26)24(29)31-13-18(7-2)25(30)33-20-10-14(3)8-9-19(27)15(4)11-21-22(20)16(5)23(28)32-21/h6-8,11,19-22,26-27H,5,9-10,12-13H2,1-4H3/b14-8+,15-11-,17-6+,18-7+/t19-,20+,21-,22+/m0/s1
SMILES C\1(=C/C[C@@H](/C(=C\[C@H]2[C@@H]([C@@H](C1)OC(=O)/C(=C/C)/COC(=O)/C(=C/C)/CO)C(=C)C(=O)O2)/C)O)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLiatris cylindracea Ref.
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