input word = C00012449

Metabolite InformationStructural formula
Name [1S-(1R*,4Z,6R*,11S*)]-4,7,7,11-Tetramethyl-12-oxabicyclo[9.1.0]dodec-4-en-6-ol acetate
Formula C17H28O3
Mw 280.20384476
CAS RN 87989-22-8
C_ID C00012449 ,
InChIKey UZUDELGKTSYJPI-VAWYXSNFNA-N
InChICode InChI=1S/C17H28O3/c1-12-7-8-14-17(5,20-14)10-6-9-16(3,4)15(11-12)19-13(2)18/h11,14-15H,6-10H2,1-5H3/b12-11+/t14-,15-,17+/m1/s1
SMILES [C@@H]1(C(CCC[C@@]2(O[C@@H]2CC/C(=C/1)/C)C)(C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeTorilis scabra Ref.
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OrganismTorilis scabra
ReferenceItokawa,Chem.Lett.,(1983),1581

Itokawa,Chem.Pharm.Bull,33,(1985),2204