input word = C00017431

Metabolite InformationStructural formula
Name 1a,2,4,4a,5,9-Hexahydro-4,4a,6-trimethyl-9-oxo-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-yl ester 3-methylpentanoic acid
Formula C21H28O5
Mw 360.193674
CAS RN 59742-09-5
C_ID C00017431 ,
InChIKey WYLKTUHRIYPVEL-UHFFFAOYNA-N
InChICode InChI=1S/C21H28O5/c1-6-11(2)9-15(22)25-19-16-12(3)10-24-17(16)18(23)21-14(26-21)8-7-13(4)20(19,21)5/h10-11,13-14,19H,6-9H2,1-5H3/t11-,13+,14-,19+,20+,21+/m0/s1
SMILES C1C[C@H]([C@]2([C@@]3([C@H]1O3)C(=O)c1c([C@H]2OC(=O)C[C@@H](C)CC)c(co1)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSenecio praecox Ref.
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