Metabolite

KNApSAcK Entry

id C00040891
Name Baccatin IV
CAS RN 57672-77-2
Standard InChI InChI=1S/C32H44O14/c1-14-21(41-15(2)33)12-32(39)28(45-19(6)37)26-30(10,22(42-16(3)34)11-23-31(26,13-40-23)46-20(7)38)27(44-18(5)36)25(43-17(4)35)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(45-19(6)37)26-30(10,22(42-16(3)34)11-23-31(26,13-40-23)46-20(7)38)27(44-18(5)36)25(43-17(4)35)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

KEGG

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CTD

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