PCIDB

KNApSAcK Metabolite C00023169

Metabolite

KNApSAcK Entry

id C00023169
Name Semi-alpha-carotenone
CAS RN 27840-51-3
Standard InChI InChI=1S/C40H56O2/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38(42)40(9,10)30-16-24-36(6)41/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1
Standard InChI (Main Layer) InChI=1S/C40H56O2/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38(42)40(9,10)30-16-24-36(6)41/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3

Cluster

Phytochemical cluster
KCF-S cluster No. 2278

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

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CTD

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