PCIDB

KNApSAcK Metabolite C00041691

Metabolite

KNApSAcK Entry

id C00041691
Name Neosibiricoside A / (-)-Neosibiricoside A
CAS RN 880152-66-9
Standard InChI InChI=1S/C47H74O21/c1-17-16-60-47(41(59)31(17)51)18(2)30-26(68-47)13-25-23-8-7-21-11-22(12-29(62-20(4)50)46(21,6)24(23)9-10-45(25,30)5)63-42-38(58)36(56)39(19(3)61-42)66-44-40(35(55)33(53)28(15-49)65-44)67-43-37(57)34(54)32(52)27(14-48)64-43/h7,17-19,22-44,48-49,51-59H,8-16H2,1-6H3/t17-,18+,19-,22-,23-,24+,25+,26+,27-,28-,29-,30+,31-,32-,33-,34+,35+,36-,37-,38-,39+,40-,41+,42+,43+,44+,45+,46+,47+/m1/s1
Standard InChI (Main Layer) InChI=1S/C47H74O21/c1-17-16-60-47(41(59)31(17)51)18(2)30-26(68-47)13-25-23-8-7-21-11-22(12-29(62-20(4)50)46(21,6)24(23)9-10-45(25,30)5)63-42-38(58)36(56)39(19(3)61-42)66-44-40(35(55)33(53)28(15-49)65-44)67-43-37(57)34(54)32(52)27(14-48)64-43/h7,17-19,22-44,48-49,51-59H,8-16H2,1-6H3

Cluster

Phytochemical cluster No. 11
KCF-S cluster No. 21

Link

ChEMBL

By standard InChI CHEMBL450738
By standard InChI Main Layer CHEMBL450738

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
Liliopsida 1

Family

family name count
Asparagaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Polygonatum sibiricum 261423 Asparagaceae Liliopsida Viridiplantae