PCIDB

KNApSAcK Metabolite C00030442

Metabolite

KNApSAcK Entry

id C00030442
Name Gymnoside IX
CAS RN 898827-00-4
Standard InChI InChI=1S/C51H64O24/c1-4-26(2)51(50(65)68-24-30-12-17-32(18-13-30)70-48-44(63)41(60)39(58)34(22-53)72-48,20-37(56)67-23-29-10-15-31(16-11-29)69-47-43(62)40(59)38(57)33(21-52)71-47)75-49-45(64)42(61)46(35(73-49)25-66-27(3)54)74-36(55)19-14-28-8-6-5-7-9-28/h5-19,26,33-35,38-49,52-53,57-64H,4,20-25H2,1-3H3/b19-14+/t26?,33-,34-,35-,38-,39-,40+,41+,42-,43-,44-,45-,46-,47-,48-,49+,51+/m1/s1
Standard InChI (Main Layer) InChI=1S/C51H64O24/c1-4-26(2)51(50(65)68-24-30-12-17-32(18-13-30)70-48-44(63)41(60)39(58)34(22-53)72-48,20-37(56)67-23-29-10-15-31(16-11-29)69-47-43(62)40(59)38(57)33(21-52)71-47)75-49-45(64)42(61)46(35(73-49)25-66-27(3)54)74-36(55)19-14-28-8-6-5-7-9-28/h5-19,26,33-35,38-49,52-53,57-64H,4,20-25H2,1-3H3

Cluster

Phytochemical cluster
KCF-S cluster No. 1768

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
Orchidaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Gymnadenia conopsea R.BR. 59323 Orchidaceae Liliopsida Viridiplantae