PCIDB

KNApSAcK Metabolite C00023005

Metabolite

KNApSAcK Entry

id C00023005
Name alpha-Doradecin / 3'-Hydroxy-beta,epsilon-carotene-3,4-dione
CAS RN 31460-53-4
Standard InChI InChI=1S/C40H52O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-25,27,34-35,41-42H,26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+
Standard InChI (Main Layer) InChI=1S/C40H52O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-25,27,34-35,41-42H,26H2,1-10H3

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN