PCIDB

KNApSAcK Metabolite C00022993

Metabolite

KNApSAcK Entry

id C00022993
Name 1',2'-Dihydro-1'-hydroxy-beta,psi-caroten-4-one
CAS RN 26056-68-8
Standard InChI InChI=1S/C40H56O2/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/h11-15,17-24,26-27,42H,16,25,28-30H2,1-10H3/b12-11+,19-13+,20-15+,22-14+,27-26+,31-17+,32-18+,33-21+,34-23+,35-24+
Standard InChI (Main Layer) InChI=1S/C40H56O2/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/h11-15,17-24,26-27,42H,16,25,28-30H2,1-10H3

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

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CTD

By CAS RN