input word = C00064196

Metabolite InformationStructural formula
Name Isoperadione
Formula C30H42O4
Mw 466.30830983
CAS RN 227008-99-3
C_ID C00064196
InChIKey YNOSWMBOMJTLHL-YSYMETDRSA-N
InChICode InChI=1S/C30H42O4/c1-17(2)13-20-14-27-16-28(33)11-8-10-25(6,7)22(28)21-15-26(27,12-9-19(21)5)23(31)29(18(3)4)30(20,34-29)24(27)32/h9,13,18,20-22,33H,8,10-12,14-16H2,1-7H3/t20-,21+,22-,26+,27-,28-,29-,30+/m0/s1
SMILES CC(C)=CC1CC23CC4(O)CCCC(C)(C)C4C4CC2(CC=C4C)C(=O)C2(C(C)C)OC12C3=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia bucharica Ref.
zoom in