input word = C00046266

Metabolite InformationStructural formula
Name Pachyclavulariaenone G
Formula C20H30O6
Mw 366.20423869
CAS RN 473882-82-5
C_ID C00046266 ,
InChIKey XIBRAFVSCLBFNY-UHFFFAOYNA-N
InChICode InChI=1S/C20H30O6/c1-9-5-11(21)15-10(2)8-25-20(4)14(23)6-13(22)19(3,24)7-12-16(9)17(15)18(20)26-12/h5,10,12-18,22-24H,6-8H2,1-4H3/t10-,12+,13-,14-,15-,16-,17-,18+,19-,20+/m1/s1
SMILES CC1=CC(=O)C2C(C)COC3(C)C(O)CC(O)C(C)(O)CC4OC3C2C14
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Pachyclavularia violacea Ref.
zoom in