input word = C00017345

Metabolite InformationStructural formula
Name [4aS-[4aalpha,5alpha,6beta(Z),7alpha(Z),8abeta]]- 4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-6,7-diyl ester 2-methyl-2-butenoic acid
Formula C25H34O5
Mw 414.2406242
CAS RN 54911-15-8
C_ID C00017345 ,
InChIKey VFXPFKHNRXPZTI-NZKIJECWNA-N
InChICode InChI=1S/C25H34O5/c1-8-14(3)23(26)29-21-11-18-10-20-19(16(5)13-28-20)12-25(18,7)17(6)22(21)30-24(27)15(4)9-2/h8-9,13,17-18,21-22H,10-12H2,1-7H3/b14-8-,15-9-/t17-,18+,21-,22-,25-/m0/s1
SMILES [C@H]1([C@H]([C@@H]([C@]2([C@@H](C1)Cc1c(C2)c(co1)C)C)C)OC(=O)/C(=C\C)/C)OC(=O)/C(=C\C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeOthonna spp. Ref.
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