PCIDB

KNApSAcK Metabolite C00003786

Metabolite

KNApSAcK Entry

id C00003786
Name Torulene / 3',4'-Didehydro-beta,psi-carotene
CAS RN 547-23-9
Standard InChI InChI=1S/C40H54/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-16,18-27,29-30H,17,28,31H2,1-10H3/b12-11+,21-13+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+
Standard InChI (Main Layer) InChI=1S/C40H54/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-16,18-27,29-30H,17,28,31H2,1-10H3

Cluster

Phytochemical cluster No. 59
KCF-S cluster No. 131

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB C08613

CTD

By CAS RN C078922