PCIDB

KNApSAcK Metabolite C00022885

Metabolite

KNApSAcK Entry

id C00022885
Name Tunaxanthin B / (3R,3'S,6S,6'S)-epsilon,epsilon-Carotene-3,3'-diol
CAS RN 72274-50-1
Standard InChI InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26,35-38,41-42H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36+,37-,38-/m1/s1
Standard InChI (Main Layer) InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26,35-38,41-42H,27-28H2,1-10H3

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

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CTD

By CAS RN