input word = C00022234

Metabolite InformationStructural formula
Name (2alpha,13R)-2,13-Dihydroxy-8,14-labdadien-7-one
Formula C20H32O3
Mw 320.23514489
CAS RN 125206-03-3
C_ID C00022234 ,
InChIKey KOQIOIDWZPDZBR-GNWRVJEENA-N
InChICode InChI=1S/C20H32O3/c1-7-19(5,23)9-8-15-13(2)16(22)10-17-18(3,4)11-14(21)12-20(15,17)6/h7,14,17,21,23H,1,8-12H2,2-6H3/t14-,17-,19-,20+/m0/s1
SMILES C=C[C@](C)(O)CCC1=C(C)C(=O)C[C@H]2C(C)(C)C[C@H](O)C[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeWaitzia acuminata Ref.
zoom in