PCIDB

KNApSAcK Metabolite C00022983

Metabolite

KNApSAcK Entry

id C00022983
Name 3'-Dehydrolutein / (3R,6'R)-3-Hydroxy-beta,epsilon-caroten-3'-one
CAS RN 23984-55-6
Standard InChI 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/h11-25,36-37,42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t36-,37+/m1/s1
Standard InChI (Main Layer) 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/h11-25,36-37,42H,26-28H2,1-10H3

Cluster

Phytochemical cluster No. 59
KCF-S cluster No. 26

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL1999562

KEGG

By LinkDB

CTD

By CAS RN C051820