PCIDB

KNApSAcK Metabolite C00023023

Metabolite

KNApSAcK Entry

id C00023023
Name Mytiloxanthin / (3R,3'S,5'R)-7,8-Didehydro-3,3',8'-trihydroxy-beta,kappa-caroten-6'-one
CAS RN 50906-61-1
Standard InChI InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)24-37(44)40(10)27-34(42)26-39(40,8)9/h11-20,24,33-34,41-43H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,36-24-/t33-,34+,40+/m1/s1
Standard InChI (Main Layer) InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)24-37(44)40(10)27-34(42)26-39(40,8)9/h11-20,24,33-34,41-43H,23,25-27H2,1-10H3

Cluster

Phytochemical cluster No. 59
KCF-S cluster No. 262

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN