input word = C00022971

Metabolite InformationStructural formula
Name 4-Ketotorulene
3',4'-Didehydro-beta,psi-caroten-4-one
Formula C40H52O
Mw 548.40181628
CAS RN 16840-81-6
C_ID C00022971 ,
InChIKey PQLCIULTTLEVLF-DRTFDKPYSA-N
InChICode InChI=1S/C40H52O/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-38-37(8)39(41)29-30-40(38,9)10/h11-28H,29-30H2,1-10H3/b12-11+,20-13+,21-14+,22-16+,25-15+,28-27+,32-18+,33-19+,34-23+,35-24+,36-26+
SMILES CC(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C(=O)CCC1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaMyxoccaceaeMyxococcus fulvus Ref.
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