input word = C00017314

Metabolite InformationStructural formula
Name [4S-[4alpha(Z),4aalpha,5alpha,6alpha]]-4,4a,5,6,7,9-Hexahydro-6-hydroxy-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-2-butenoic acid
Formula C20H24O5
Mw 344.16237388
CAS RN 53820-51-2
C_ID C00017314 ,
InChIKey RSSZMBALEANRPG-RWNAVLASNA-N
InChICode InChI=1S/C20H24O5/c1-6-10(2)19(23)25-18-15-11(3)9-24-17(15)16(22)13-7-8-14(21)12(4)20(13,18)5/h6-7,9,12,14,18,21H,8H2,1-5H3/b10-6+/t12-,14-,18+,20+/m0/s1
SMILES C1[C@@H]([C@@H]([C@@]2(C(=C1)C(=O)c1c([C@H]2OC(=O)/C(=C/C)/C)c(co1)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEuryops spathaceus Ref.
zoom in