PCIDB

KNApSAcK Metabolite C00045542

Metabolite

KNApSAcK Entry

id C00045542
Name 2'-Acetyl-7-epi-cephalomannine / (+)-2'-Acetyl-7-epi-cephalomannine
CAS RN 340739-83-5
Standard InChI InChI=1S/C47H55NO15/c1-10-24(2)41(54)48-35(29-17-13-11-14-18-29)37(60-27(5)50)43(56)61-31-22-47(57)40(62-42(55)30-19-15-12-16-20-30)38-45(9,32(52)21-33-46(38,23-58-33)63-28(6)51)39(53)36(59-26(4)49)34(25(31)3)44(47,7)8/h10-20,31-33,35-38,40,52,57H,21-23H2,1-9H3,(H,48,54)/b24-10+/t31?,32-,33-,35+,36-,37-,38+,40+,45-,46+,47-/m1/s1
Standard InChI (Main Layer) InChI=1S/C47H55NO15/c1-10-24(2)41(54)48-35(29-17-13-11-14-18-29)37(60-27(5)50)43(56)61-31-22-47(57)40(62-42(55)30-19-15-12-16-20-30)38-45(9,32(52)21-33-46(38,23-58-33)63-28(6)51)39(53)36(59-26(4)49)34(25(31)3)44(47,7)8/h10-20,31-33,35-38,40,52,57H,21-23H2,1-9H3,(H,48,54)

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

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