PCIDB

KNApSAcK Metabolite C00022912

Metabolite

KNApSAcK Entry

id C00022912
Name Deepoxyneoxanthin / (3R,3'R)-6,7-Didehydro-5,6-dihydro-3,3',5-trihydroxy-beta,beta-carotene
CAS RN 24730-28-7
Standard InChI InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37-39(8,9)27-35(42)28-40(37,10)43/h11-23,34-35,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,29-15+,30-16+,31-19+,32-20+/t24-,34+,35-,40+/m0/s1
Standard InChI (Main Layer) InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37-39(8,9)27-35(42)28-40(37,10)43/h11-23,34-35,41-43H,25-28H2,1-10H3

Cluster

Phytochemical cluster No. 59
KCF-S cluster No. 664

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN