input word = C00022974

Metabolite InformationStructural formula
Name 2'-Hydroxy-beta,beta-caroten-2-one
Formula C40H54O2
Mw 566.41238097
CAS RN 63596-37-2
C_ID C00022974 ,
InChIKey AOPBWKXNULORDB-RIRRTMASNA-N
InChICode InChI=1S/C40H54O2/c1-29(17-13-19-31(3)21-25-35-33(5)23-27-37(41)39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-26-36-34(6)24-28-38(42)40(36,9)10/h11-22,25-26,37,41H,23-24,27-28H2,1-10H3/b12-11+,17-13+,18-14+,25-21+,26-22+,29-15+,30-16+,31-19+,32-20+/t37-/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/C1=C(CC[C@H](C1(C)C)O)C)\C)\C)/C)/C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Neohirasea japonica Ref.
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