input word = C00037822

Metabolite InformationStructural formula
Name Sibyllenone
Formula C21H22O6
Mw 370.14163844
CAS RN 299175-09-0
C_ID C00037822 ,
InChIKey VMBFNOIPGQFDTB-ARQIVNBINA-N
InChICode InChI=1S/C21H22O6/c1-4-5-20-9-21(17(8-16(20)22)25-11-27-21)12(2)18(20)13-6-14(23-3)19-15(7-13)24-10-26-19/h4,6-8,12,18H,1,5,9-11H2,2-3H3/t12-,18+,20+,21-/m0/s1
SMILES c12c(c(cc(c1)[C@H]1[C@@H]([C@@]34C[C@@]1(C(=O)C=C3OCO4)CC=C)C)OC)OCO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLauraceaeOcotea bullata Ref.
zoom in