input word = C00017407

Metabolite InformationStructural formula
Name [4aS-[4aalpha,5alpha,6alpha(Z),8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a-dimethyl-6-[(2-methyl-1-oxo-2-butenyl)oxy]-naphtho[2,3-b]furan-5-carboxylic acid
Formula C20H26O5
Mw 346.17802394
CAS RN 54878-37-4
C_ID C00017407 ,
InChIKey SFPQRJXDXQUVHX-FPNYQJPJNA-N
InChICode InChI=1S/C20H26O5/c1-5-11(2)19(23)25-15-7-6-13-8-16-14(12(3)10-24-16)9-20(13,4)17(15)18(21)22/h5,10,13,15,17H,6-9H2,1-4H3,(H,21,22)/b11-5-/t13-,15+,17-,20-/m1/s1
SMILES C1[C@@H]([C@@H]([C@]2([C@H](C1)Cc1c(C2)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.
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