input word = C00022969

Metabolite InformationStructural formula
Name beta,epsilon-Caroten-2-one
Formula C40H54O
Mw 550.41746634
CAS RN 80134-57-2
C_ID C00022969 ,
InChIKey DRILQCFARFNRTI-VTSYBOBWNA-N
InChICode InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-26-36-34(5)22-15-29-39(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-27-37-35(6)25-28-38(41)40(37,9)10/h11-14,16-24,26-27,36H,15,25,28-29H2,1-10H3/b12-11+,18-13+,19-14+,26-23+,27-24+,30-16+,31-17+,32-20+,33-21+/t36-/m1/s1
SMILES C1(=O)CCC(=C(C1(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/[C@H]1C(CCC=C1C)(C)C)\C)\C)/C)/C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaPhasmatidaeExtatosoma tiaratum Ref.
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