PCIDB

KNApSAcK Metabolite C00003624

Metabolite

KNApSAcK Entry

id C00003624
Name Hellebrin
CAS RN 13289-18-4
Standard InChI InChI=1S/C36H52O15/c1-17-30(51-32-28(43)26(41)25(40)23(14-37)50-32)27(42)29(44)31(48-17)49-19-5-10-34(16-38)21-6-9-33(2)20(18-3-4-24(39)47-15-18)8-12-36(33,46)22(21)7-11-35(34,45)13-19/h3-4,15-17,19-23,25-32,37,40-46H,5-14H2,1-2H3/t17?,19-,20+,21-,22+,23?,25+,26-,27+,28?,29?,30-,31-,32-,33+,34-,35-,36-/m0/s1
Standard InChI (Main Layer) InChI=1S/C36H52O15/c1-17-30(51-32-28(43)26(41)25(40)23(14-37)50-32)27(42)29(44)31(48-17)49-19-5-10-34(16-38)21-6-9-33(2)20(18-3-4-24(39)47-15-18)8-12-36(33,46)22(21)7-11-35(34,45)13-19/h3-4,15-17,19-23,25-32,37,40-46H,5-14H2,1-2H3

Cluster

Phytochemical cluster No. 57
KCF-S cluster No. 3132

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL1095238 CHEMBL1968519

KEGG

By LinkDB C08868

CTD

By CAS RN C007913

Species

Summary

Plant class

class name count
eudicotyledons 1

Family

family name count
Ranunculaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Helleborus niger 171896 Ranunculaceae eudicotyledons Viridiplantae