Terminology Service for NFDI4Health
JSON

Batrachotoxin

Go to external page http://purl.obolibrary.org/obo/CHEBI_34554

Term info

Label

Batrachotoxin

Synonyms
  • Batrachotoxin
database cross reference
Subsets

2_STAR

charge

0

formula

C31H42N2O6

has obo namespace

chebi_ontology

id

CHEBI:34554

inchi

InChI=1S/C31H42N2O6/c1-18-16-32-19(2)25(18)26(35)38-20(3)22-8-9-30-23-7-6-21-14-29(36)11-10-27(21,4)31(23,39-29)24(34)15-28(22,30)17-33(5)12-13-37-30/h7-8,16,20-21,24,32,34,36H,6,9-15,17H2,1-5H3/t20-,21-,24-,27+,28+,29-,30+,31+/m1/s1

inchikey

ISNYUQWBWALXEY-WVLWVZDSSA-N

mass

538.676

monoisotopicmass

538.30429

smiles

C[C@@H](OC(=O)c1c(C)c[nH]c1C)C1=CC[C@@]23OCCN(C)C[C@@]12C[C@@H](O)[C@]12O[C@@]4(O)CC[C@@]1(C)[C@H](CC=C32)C4

Term relations

Subclass of: