PCIDB

KNApSAcK Metabolite C00044347

Metabolite

KNApSAcK Entry

id C00044347
Name Taxuspinanane J
CAS RN 212071-26-6
Standard InChI InChI=1S/C40H44O12/c1-22-27(43)20-40(47)35(51-36(46)26-15-11-8-12-16-26)33-38(6,34(45)32(49-23(2)41)31(22)37(40,4)5)28(19-29-39(33,21-48-29)52-24(3)42)50-30(44)18-17-25-13-9-7-10-14-25/h7-18,27-29,32-33,35,43,47H,19-21H2,1-6H3/b18-17+/t27-,28-,29+,32+,33-,35-,38+,39-,40+/m0/s1
Standard InChI (Main Layer) InChI=1S/C40H44O12/c1-22-27(43)20-40(47)35(51-36(46)26-15-11-8-12-16-26)33-38(6,34(45)32(49-23(2)41)31(22)37(40,4)5)28(19-29-39(33,21-48-29)52-24(3)42)50-30(44)18-17-25-13-9-7-10-14-25/h7-18,27-29,32-33,35,43,47H,19-21H2,1-6H3

Cluster

Phytochemical cluster No. 49
KCF-S cluster No. 238

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

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CTD

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