input word = C00022997

Metabolite InformationStructural formula
Name (3'R,6S,6'S)-3'-Hydroxy-epsilon,epsilon-Caroten-3-one
Formula C40H54O2
Mw 566.41238097
CAS RN
C_ID C00022997 ,
InChIKey OTHWKRBAHPOBSP-VVGOYUJZNA-N
InChICode InChI=1S/C40H54O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26,35,37-38,41H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,37+,38+/m0/s1
SMILES CC1=CC(=O)CC(C)(C)[C@@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@H]1C(C)=C[C@H](O)CC1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaCoryphaenidaeCoryphaena hippurus Ref.
AnimaliaExocoetidaePrognichthys agoo Ref.
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