EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:6371 - Lanceotoxin A

ChEBI IDCHEBI:6371
ChEBI NameLanceotoxin A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC32H44O12
Net Charge0
Average Mass620.692
Monoisotopic Mass620.28328
SMILES[H][C@]12CC[C@@]3(C)[C@](O)(CC[C@]3([H])c3ccc(=O)oc3)[C@]1([H])CC[C@]1(OC(C)=O)C[C@@H](OC(=O)[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O)CC[C@@]12C=O
InChIInChI=1S/C32H44O12/c1-17(34)25(37)26(38)27(39)28(40)43-20-6-11-30(16-33)22-7-10-29(3)21(19-4-5-24(36)42-15-19)9-13-32(29,41)23(22)8-12-31(30,14-20)44-18(2)35/h4-5,15-17,20-23,25-27,34,37-39,41H,6-14H2,1-3H3/t17-,20-,21+,22-,23+,25-,26+,27+,29+,30-,31-,32-/m0/s1
InChIKeyIDZGCABQJKWSHL-GSMIIGJLSA-N
ChEBI Ontology
Outgoing Relation(s)
Lanceotoxin A (CHEBI:6371) has functional parent bufanolide (CHEBI:22934)
Lanceotoxin A (CHEBI:6371) is a steroid lactone (CHEBI:26766)
Synonym  Source
Lanceotoxin AKEGG COMPOUND
Manual XrefsDatabases
C08872KEGG COMPOUND
C00003628KNApSAcK
Registry NumbersSources
CAS:93771-82-5KEGG COMPOUND