PCIDB

KNApSAcK Metabolite C00030822

Metabolite

KNApSAcK Entry

id C00030822
Name Nigroside A
CAS RN 386747-86-0
Standard InChI InChI=1S/C56H94O29/c1-21(19-75-50-44(72)40(68)37(65)30(15-57)79-50)5-8-34(63)78-29-14-27-25-7-6-23-13-24(9-11-55(23,3)26(25)10-12-56(27,4)35(29)22(2)61)77-52-46(74)42(70)47(33(18-60)82-52)83-54-49(85-53-45(73)41(69)38(66)31(16-58)80-53)48(39(67)32(17-59)81-54)84-51-43(71)36(64)28(62)20-76-51/h21-33,35-54,57-62,64-74H,5-20H2,1-4H3/t21-,22+,23+,24+,25-,26+,27+,28-,29+,30-,31-,32-,33-,35+,36+,37-,38-,39-,40+,41+,42-,43-,44-,45-,46-,47+,48+,49-,50-,51+,52-,53+,54+,55+,56+/m1/s1
Standard InChI (Main Layer) InChI=1S/C56H94O29/c1-21(19-75-50-44(72)40(68)37(65)30(15-57)79-50)5-8-34(63)78-29-14-27-25-7-6-23-13-24(9-11-55(23,3)26(25)10-12-56(27,4)35(29)22(2)61)77-52-46(74)42(70)47(33(18-60)82-52)83-54-49(85-53-45(73)41(69)38(66)31(16-58)80-53)48(39(67)32(17-59)81-54)84-51-43(71)36(64)28(62)20-76-51/h21-33,35-54,57-62,64-74H,5-20H2,1-4H3

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
Liliopsida 1

Family

family name count
Melanthiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Paris polyphylla 49666 Melanthiaceae Liliopsida Viridiplantae