PCIDB

KNApSAcK Metabolite C00040776

Metabolite

KNApSAcK Entry

id C00040776
Name 19-Hydroxybaccatin III
CAS RN 78432-78-7
Standard InChI InChI=1S/C31H38O12/c1-15-19(35)12-31(39)26(42-27(38)18-9-7-6-8-10-18)24-29(13-32,20(36)11-21-30(24,14-40-21)43-17(3)34)25(37)23(41-16(2)33)22(15)28(31,4)5/h6-10,19-21,23-24,26,32,35-36,39H,11-14H2,1-5H3/t19-,20-,21+,23+,24-,26-,29+,30-,31+/m0/s1
Standard InChI (Main Layer) InChI=1S/C31H38O12/c1-15-19(35)12-31(39)26(42-27(38)18-9-7-6-8-10-18)24-29(13-32,20(36)11-21-30(24,14-40-21)43-17(3)34)25(37)23(41-16(2)33)22(15)28(31,4)5/h6-10,19-21,23-24,26,32,35-36,39H,11-14H2,1-5H3

Cluster

Phytochemical cluster No. 49
KCF-S cluster No. 164

Link

ChEMBL

By standard InChI CHEMBL447792
By standard InChI Main Layer CHEMBL447792 CHEMBL503859

KEGG

By LinkDB

CTD

By CAS RN C031495