CHEBI:80727 - AK-toxin I

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ChEBI Name AK-toxin I
ChEBI ID CHEBI:80727
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C23H27NO6
Net Charge 0
Average Mass 413.46360
Monoisotopic Mass 413.18384
InChI InChI=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+
InChIKey HGSOUJPIFSDBKJ-OUYMFVGOSA-N
SMILES CC(C(NC(C)=O)C(=O)OC(\C=C\C=C/C=C/C(O)=O)C1(C)CO1)c1ccccc1
ChEBI Ontology
Outgoing AK-toxin I (CHEBI:80727) is a organic molecular entity (CHEBI:50860)
Manual Xrefs Databases
C00024781 KNApSAcK
C16787 KEGG COMPOUND
HMDB0030401 HMDB
View more database links
Registry Number Type Source
85146-09-4 CAS Registry Number KEGG COMPOUND