input word = C00017307

Metabolite InformationStructural formula
Name [4S-[4alpha(Z),4aalpha,5alpha,6alpha(Z),8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a-dimethyl-4,6-bis[(2-methyl-1-oxo-2-butenyl)oxy]-naphtho[2,3-b]furan-5-carboxylic acid
Formula C25H32O7
Mw 444.21480338
CAS RN 54878-43-2
C_ID C00017307 ,
InChIKey HQNZQYINFXPQGF-SMWNHTEPNA-N
InChICode InChI=1S/C25H32O7/c1-7-13(3)23(28)31-17-10-9-16-11-18-19(15(5)12-30-18)21(32-24(29)14(4)8-2)25(16,6)20(17)22(26)27/h7-8,12,16-17,20-21H,9-11H2,1-6H3,(H,26,27)/b13-7-,14-8-/t16-,17+,20-,21-,25-/m1/s1
SMILES C1[C@@H]([C@@H]([C@]2([C@H](C1)Cc1c([C@H]2OC(=O)/C(=C\C)/C)c(co1)C)C)C(=O)O)OC(=O)/C(=C\C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeOthonna spp. Ref.
zoom in



OrganismOthonna spp.
ReferenceBohlmann,Phytochem.,107,(1974),3928