PCIDB

KNApSAcK Metabolite C00022991

Metabolite

KNApSAcK Entry

id C00022991
Name Deoxyflexanthin / 3',4'-Didehydro-1',2'-dihydro-1'-hydroxy-beta,psi-caroten-4-one
CAS RN 26056-69-9
Standard InChI InChI=1S/C40H54O2/c1-31(19-13-21-33(3)22-14-23-34(4)25-16-29-40(9,10)42)17-11-12-18-32(2)20-15-24-35(5)26-27-37-36(6)38(41)28-30-39(37,7)8/h11-27,42H,28-30H2,1-10H3/b12-11+,19-13+,20-15+,22-14+,25-16+,27-26+,31-17+,32-18+,33-21+,34-23+,35-24+
Standard InChI (Main Layer) InChI=1S/C40H54O2/c1-31(19-13-21-33(3)22-14-23-34(4)25-16-29-40(9,10)42)17-11-12-18-32(2)20-15-24-35(5)26-27-37-36(6)38(41)28-30-39(37,7)8/h11-27,42H,28-30H2,1-10H3

Cluster

Phytochemical cluster No. 59
KCF-S cluster No. 131

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN C010907