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 C=CC[C@@]12C[C@]3(OCOC3=CC1=O)[C@@H](C)[C@@H]2c1cc(OC)c2c(c1)OCO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLauraceaeOcotea bullata Ref.
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