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CHEBI:6372 - Lanceotoxin B

ChEBI IDCHEBI:6372
ChEBI NameLanceotoxin B
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC32H44O11
Net Charge0
Average Mass604.693
Monoisotopic Mass604.28836
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](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)CC[C@@]12C=O
InChIInChI=1S/C32H44O11/c1-17-25(36)26(37)27(38)28(41-17)42-20-6-11-30(16-33)22-7-10-29(3)21(19-4-5-24(35)40-15-19)9-13-32(29,39)23(22)8-12-31(30,14-20)43-18(2)34/h4-5,15-17,20-23,25-28,36-39H,6-14H2,1-3H3/t17-,20-,21+,22-,23+,25-,26+,27+,28-,29+,30-,31-,32-/m0/s1
InChIKeyIKNIMVNUBXHADS-YGGZPGJKSA-N
ChEBI Ontology
Outgoing Relation(s)
Lanceotoxin B (CHEBI:6372) has functional parent bufanolide (CHEBI:22934)
Lanceotoxin B (CHEBI:6372) is a steroid lactone (CHEBI:26766)
Synonym  Source
Lanceotoxin BKEGG COMPOUND
Manual XrefsDatabases
C08873KEGG COMPOUND
C00003629KNApSAcK
Registry NumbersSources
CAS:93802-98-3KEGG COMPOUND