PCIDB

KNApSAcK Metabolite C00022950

Metabolite

KNApSAcK Entry

id C00022950
Name Mutatoxanthin / (3S,3'R,5R)-5,8-Epoxy-5,8-dihydro-beta,beta-carotene-3,3'-diol
CAS RN 31661-06-0
Standard InChI InChI=1S/C40H56O3/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)36-24-37-39(8,9)26-34(42)27-40(37,10)43-36/h11-22,24,33-34,36,41-42H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t33-,34+,36+,40-/m1/s1
Standard InChI (Main Layer) InChI=1S/C40H56O3/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)36-24-37-39(8,9)26-34(42)27-40(37,10)43-36/h11-22,24,33-34,36,41-42H,23,25-27H2,1-10H3

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

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CTD

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