input word = C00017355

Metabolite InformationStructural formula
Name [4aR-[4aalpha,5alpha,6alpha(Z),8aalpha,9alpha]]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethyl-9-[(3-methyl-1-oxo-2-butenyl)oxy]naphtho[2,3-b]furan-6-yl ester 2-methyl-2-butenoic acid
Formula C25H34O5
Mw 414.2406242
CAS RN 51117-15-8
C_ID C00017355 ,
InChIKey YFTBXGVKABIJQN-JVBGXGDBNA-N
InChICode InChI=1S/C25H34O5/c1-8-15(4)24(27)29-20-10-9-19-23(30-21(26)11-14(2)3)22-18(16(5)13-28-22)12-25(19,7)17(20)6/h8,11,13,17,19-20,23H,9-10,12H2,1-7H3/b15-8-/t17-,19+,20-,23+,25+/m0/s1
SMILES C1[C@@H]([C@@H]([C@@]2([C@H](C1)[C@H](c1c(C2)c(co1)C)OC(=O)C=C(C)C)C)C)OC(=O)/C(=C\C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeFarfugium japonicum Ref.
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OrganismFarfugium japonicum
ReferenceNagana,Bull.Chem.Soc.Jpn.,46,81973),2840