PCIDB

KNApSAcK Metabolite C00023033

Metabolite

KNApSAcK Entry

id C00023033
Name Halocynthiaxanthin / (3S,3'R,5R,6S)-7',8'-Didehydro-5,6-epoxy-5,6,7,8-tetrahydro-8-oxo-beta,beta-carotene-3,3'-diol
CAS RN 81306-52-7
Standard InChI InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)24-37(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)27-40-38(8,9)25-34(42)26-39(40,10)44-40/h11-20,33-34,41-42H,23-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+/t33-,34+,39-,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)24-37(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)27-40-38(8,9)25-34(42)26-39(40,10)44-40/h11-20,33-34,41-42H,23-27H2,1-10H3

Cluster

Phytochemical cluster No. 59
KCF-S cluster No. 114

Link

ChEMBL

By standard InChI CHEMBL450953
By standard InChI Main Layer CHEMBL450953

KEGG

By LinkDB

CTD

By CAS RN C073045