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CHEBI:2872 - Asebotoxin II

ChEBI IDCHEBI:2872
ChEBI NameAsebotoxin II
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC23H36O6
Net Charge0
Average Mass408.535
Monoisotopic Mass408.25119
SMILES[H][C@@]12CC[C@@H]3[C@@H](OC(=O)CC)[C@@]1(C[C@@H](O)[C@]1(O)C(C)(C)[C@@H](O)C[C@@]1([H])C2=C)C[C@@]3(C)O
InChIInChI=1S/C23H36O6/c1-6-18(26)29-19-14-8-7-13-12(2)15-9-16(24)20(3,4)23(15,28)17(25)10-22(13,19)11-21(14,5)27/h13-17,19,24-25,27-28H,2,6-11H2,1,3-5H3/t13-,14+,15-,16-,17+,19+,21+,22-,23-/m0/s1
InChIKeyVVXZWGWGAMWPOU-GTPZWBMOSA-N
ChEBI Ontology
Outgoing Relation(s)
Asebotoxin II (CHEBI:2872) is a diterpenoid (CHEBI:23849)
Synonym  Source
Asebotoxin IIKEGG COMPOUND
Manual XrefsDatabases
C09063KEGG COMPOUND
C00003404KNApSAcK
Registry NumbersSources
CAS:23984-18-1KEGG COMPOUND