input word = C00022981

Metabolite InformationStructural formula
Name 4'-Hydroxy-beta,beta-caroten-4-one
4-Keto-4'-hydroxy-beta-carotene
4-Hydroxy-4'-keto-beta-carotene
Formula C40H54O2
Mw 566.41238097
CAS RN 2213-17-4
C_ID C00022981 ,
InChIKey RONAGRFBGGXGHB-DKLMTRRANA-N
InChICode InChI=1S/C40H54O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24,37,41H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t37-/m1/s1
SMILES C1CC(=O)C(=C(C1(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C([C@@H](CCC1(C)C)O)C)\C)\C)/C)/C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaCyprinidaeCarassius auratus Ref.
AnimaliaFasciolariidaeFusinus perplexus Ref.
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