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CHEBI:224360 - Anhydrohapaloxindole A

ChEBI IDCHEBI:224360
ChEBI NameAnhydrohapaloxindole A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H21ClN2O
Net Charge0
Average Mass352.865
Monoisotopic Mass352.13424
SMILES[C-]#[N+][C@H]1C2=C3C(=O)Nc4cccc(c43)C(C)(C)[C@H]2C[C@@H](Cl)[C@]1(C)C=C
InChIInChI=1S/C21H21ClN2O/c1-6-21(4)14(22)10-12-16(18(21)23-5)17-15-11(20(12,2)3)8-7-9-13(15)24-19(17)25/h6-9,12,14,18H,1,10H2,2-4H3,(H,24,25)/t12-,14+,18-,21-/m0/s1
InChIKeyZHHYANZIARLNFJ-KEWKWHHGSA-N
Species of MetaboliteComponentSourceComments
Hapalosiphon welwitschii (ncbitaxon:162986) - DOI (10.1021/jo00226a009)
ChEBI Ontology
Outgoing Relation(s)
Anhydrohapaloxindole A (CHEBI:224360) is a isoindoles (CHEBI:24897)
IUPAC Name 
(3S,4R,5R,7R)-5-chloro-4-ethenyl-3-isocyano-4,8,8-trimethyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1,9(16),10,12-tetraen-15-one
Manual XrefsDatabases
78440664ChemSpider