PCIDB

KNApSAcK Metabolite C00033456

Metabolite

KNApSAcK Entry

id C00033456
Name Tuberculatin
CAS RN 90706-10-8
Standard InChI InChI=1S/C26H24O11/c1-31-17-6-13-14(7-18(17)32-2)22(37-25-23(28)26(30,9-27)10-34-25)21-15(8-33-24(21)29)20(13)12-3-4-16-19(5-12)36-11-35-16/h3-7,23,25,27-28,30H,8-11H2,1-2H3/t23-,25-,26+/m0/s1
Standard InChI (Main Layer) InChI=1S/C26H24O11/c1-31-17-6-13-14(7-18(17)32-2)22(37-25-23(28)26(30,9-27)10-34-25)21-15(8-33-24(21)29)20(13)12-3-4-16-19(5-12)36-11-35-16/h3-7,23,25,27-28,30H,8-11H2,1-2H3

Cluster

Phytochemical cluster No. 22
KCF-S cluster No. 509

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN