CHEBI:80050 - Lyngbyatoxin

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ChEBI Name Lyngbyatoxin
ChEBI ID CHEBI:80050
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H39N3O2
Net Charge 0
Average Mass 437.61750
Monoisotopic Mass 437.30423
InChI InChI=1S/C27H39N3O2/c1-8-27(6,13-9-10-17(2)3)21-11-12-22-23-19(15-28-24(21)23)14-20(16-31)29-26(32)25(18(4)5)30(22)7/h8,10-12,15,18,20,25,28,31H,1,9,13-14,16H2,2-7H3,(H,29,32)
InChIKey KISDGNGREAJPQR-UHFFFAOYSA-N
SMILES CC(C)C1N(C)c2ccc(c3[nH]cc(CC(CO)NC1=O)c23)C(C)(CCC=C(C)C)C=C
ChEBI Ontology
Outgoing Lyngbyatoxin (CHEBI:80050) is a monoterpenoid (CHEBI:25409)
Manual Xref Database
C15720 KEGG COMPOUND
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Registry Number Type Source
70497-14-2 CAS Registry Number KEGG COMPOUND