input word = C00022420

Metabolite InformationStructural formula
Name 6-Acetoxy-8(17),12,14-labdatrien-19-oic acid
Formula C22H32O4
Mw 360.23005951
CAS RN 79082-34-1
C_ID C00022420 ,
InChIKey QEGKOTVMJLTBMK-FRYFBVSTNA-N
InChICode InChI=1S/C22H32O4/c1-7-14(2)9-10-17-15(3)13-18(26-16(4)23)19-21(17,5)11-8-12-22(19,6)20(24)25/h7,9,17-19H,1,3,8,10-13H2,2,4-6H3,(H,24,25)/b14-9-/t17-,18-,19-,21+,22-/m0/s1
SMILES C=C/C(C)=CC[C@H]1C(=C)C[C@H](OC(C)=O)C2[C@]1(C)CCC[C@]2(C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhyllocladaceaePhyllocladus trichomanoides Ref.
zoom in