PCIDB

KNApSAcK Metabolite C00040780

Metabolite

KNApSAcK Entry

id C00040780
Name 1beta-Hydroxybaccatin I
CAS RN 30244-37-2
Standard InChI InChI=1S/C32H44O14/c1-14-21(41-15(2)33)12-32(39)28(46-20(7)38)26-30(10,22(42-16(3)34)11-23(43-17(4)35)31(26)13-40-31)27(45-19(6)37)25(44-18(5)36)24(14)29(32,8)9/h21-23,25-28,39H,11-13H2,1-10H3/t21-,22-,23-,25+,26?,27-,28-,30+,31+,32+/m0/s1
Standard InChI (Main Layer) InChI=1S/C32H44O14/c1-14-21(41-15(2)33)12-32(39)28(46-20(7)38)26-30(10,22(42-16(3)34)11-23(43-17(4)35)31(26)13-40-31)27(45-19(6)37)25(44-18(5)36)24(14)29(32,8)9/h21-23,25-28,39H,11-13H2,1-10H3

Cluster

Phytochemical cluster
KCF-S cluster No. 248

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL420772

KEGG

By LinkDB

CTD

By CAS RN