PCIDB

KNApSAcK Metabolite C00045503

Metabolite

KNApSAcK Entry

id C00045503
Name 10-Deacetyl-10-oxo-7-epi-cephalomannine / (-)-10-Deacetyl-10-oxo-7-epi-cephalomannine
CAS RN 213276-08-5
Standard InChI InChI=1S/C43H49NO13/c1-8-22(2)37(50)44-31(25-15-11-9-12-16-25)33(48)39(52)55-27-20-43(53)36(56-38(51)26-17-13-10-14-18-26)34-41(7,35(49)32(47)30(23(27)3)40(43,5)6)28(46)19-29-42(34,21-54-29)57-24(4)45/h8-18,27-29,31,33-34,36,46,48,53H,19-21H2,1-7H3,(H,44,50)/b22-8+/t27-,28+,29+,31-,33+,34-,36-,41+,42-,43+/m0/s1
Standard InChI (Main Layer) InChI=1S/C43H49NO13/c1-8-22(2)37(50)44-31(25-15-11-9-12-16-25)33(48)39(52)55-27-20-43(53)36(56-38(51)26-17-13-10-14-18-26)34-41(7,35(49)32(47)30(23(27)3)40(43,5)6)28(46)19-29-42(34,21-54-29)57-24(4)45/h8-18,27-29,31,33-34,36,46,48,53H,19-21H2,1-7H3,(H,44,50)

Cluster

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

Link

ChEMBL

By standard InChI CHEMBL447402
By standard InChI Main Layer CHEMBL447402

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
Spermatophyta 1

Family

family name count
Taxaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Taxus canadensis 88032 Taxaceae Spermatophyta Viridiplantae