PCIDB

KNApSAcK Metabolite C00050053

Metabolite

KNApSAcK Entry

id C00050053
Name Deglucocyclamin
CAS RN 23643-61-0
Standard InChI InChI=1S/C52H84O22/c1-46(2)27-7-11-49(5)28(8-12-52-29-15-47(3,21-55)13-14-51(29,22-68-52)30(57)16-50(49,52)6)48(27,4)10-9-31(46)72-44-40(74-43-39(65)36(62)33(59)24(17-53)69-43)35(61)26(20-67-44)71-45-41(37(63)34(60)25(18-54)70-45)73-42-38(64)32(58)23(56)19-66-42/h21,23-45,53-54,56-65H,7-20,22H2,1-6H3/t23-,24-,25-,26+,27+,28-,29-,30-,31+,32+,33-,34-,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,47+,48+,49-,50+,51-,52+/m1/s1
Standard InChI (Main Layer) InChI=1S/C52H84O22/c1-46(2)27-7-11-49(5)28(8-12-52-29-15-47(3,21-55)13-14-51(29,22-68-52)30(57)16-50(49,52)6)48(27,4)10-9-31(46)72-44-40(74-43-39(65)36(62)33(59)24(17-53)69-43)35(61)26(20-67-44)71-45-41(37(63)34(60)25(18-54)70-45)73-42-38(64)32(58)23(56)19-66-42/h21,23-45,53-54,56-65H,7-20,22H2,1-6H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 11

Link

ChEMBL

By standard InChI CHEMBL500261
By standard InChI Main Layer CHEMBL500261 CHEMBL501615

KEGG

By LinkDB

CTD

By CAS RN C054708

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Primulaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Cyclamen mirabile 87528 Primulaceae asterids Viridiplantae