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CHEBI:80727 - AK-toxin I

Default Structure
ChEBI IDCHEBI:80727
ChEBI NameAK-toxin I
Stars
DownloadsMolfile
FormulaC23H27NO6
Net Charge0
Average Mass413.470
Monoisotopic Mass413.18384
SMILESCC(=O)NC(C(=O)OC(/C=C/C=C\C=C\C(=O)O)C1(C)CO1)C(C)c1ccccc1
InChIInChI=1S/C23H27NO6/c1-16(18-11-7-6-8-12-18)21(24-17(2)25)22(28)30-19(23(3)15-29-23)13-9-4-5-10-14-20(26)27/h4-14,16,19,21H,15H2,1-3H3,(H,24,25)(H,26,27)/b5-4-,13-9+,14-10+
InChIKeyHGSOUJPIFSDBKJ-OUYMFVGOSA-N
ChEBI Ontology
Outgoing Relation(s)
AK-toxin I (CHEBI:80727) is a organic molecular entity (CHEBI:50860)
Manual XrefsDatabases
C00024781KNApSAcK
C16787KEGG COMPOUND
HMDB0030401HMDB
Registry NumbersSources
CAS:85146-09-4KEGG COMPOUND