PCIDB

KNApSAcK Metabolite C00023015

Metabolite

KNApSAcK Entry

id C00023015
Name Thiothece OH-484 / 1,1',2,2'-Tetrahydro-1'-hydroxy-1-methoxy-psi,psi-caroten-4-one
CAS RN 38647-30-2
Standard InChI InChI=1S/C41H60O3/c1-33(21-14-23-35(3)24-16-26-37(5)28-18-31-40(7,8)43)19-12-13-20-34(2)22-15-25-36(4)27-17-29-38(6)39(42)30-32-41(9,10)44-11/h12-17,19-27,29,43H,18,28,30-32H2,1-11H3/b13-12+,21-14+,22-15+,24-16+,27-17+,33-19+,34-20+,35-23+,36-25+,37-26+,38-29+
Standard InChI (Main Layer) InChI=1S/C41H60O3/c1-33(21-14-23-35(3)24-16-26-37(5)28-18-31-40(7,8)43)19-12-13-20-34(2)22-15-25-36(4)27-17-29-38(6)39(42)30-32-41(9,10)44-11/h12-17,19-27,29,43H,18,28,30-32H2,1-11H3

Cluster

Phytochemical cluster
KCF-S cluster No. 402

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN