PCIDB

KNApSAcK Metabolite C00022852

Metabolite

KNApSAcK Entry

id C00022852
Name Anhydrorhodovibrin / 3,4-Didehydro-1,2-dihydro-1-methoxy-psi,psi-carotene
CAS RN 5085-16-5
Standard InChI InChI=1S/C41H58O/c1-34(2)20-14-23-37(5)26-17-29-38(6)27-15-24-35(3)21-12-13-22-36(4)25-16-28-39(7)30-18-31-40(8)32-19-33-41(9,10)42-11/h12-13,15-22,24-32H,14,23,33H2,1-11H3/b13-12+,24-15+,25-16+,29-17+,30-18+,32-19+,35-21+,36-22+,37-26+,38-27+,39-28+,40-31+
Standard InChI (Main Layer) InChI=1S/C41H58O/c1-34(2)20-14-23-37(5)26-17-29-38(6)27-15-24-35(3)21-12-13-22-36(4)25-16-28-39(7)30-18-31-40(8)32-19-33-41(9,10)42-11/h12-13,15-22,24-32H,14,23,33H2,1-11H3

Cluster

Phytochemical cluster No. 59
KCF-S cluster No. 97

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB C15877

CTD

By CAS RN