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CHEBI:201858 - Hapalonamide A

ChEBI IDCHEBI:201858
ChEBI NameHapalonamide A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H23ClN2O2
Net Charge0
Average Mass370.880
Monoisotopic Mass370.14481
SMILES[C-]#[N+][C@H]1C2C(=O)c3c(NC=O)cccc3C(C)(C)[C@H]2C[C@@H](Cl)[C@]1(C)C=C
InChIInChI=1S/C21H23ClN2O2/c1-6-21(4)15(22)10-13-17(19(21)23-5)18(26)16-12(20(13,2)3)8-7-9-14(16)24-11-25/h6-9,11,13,15,17,19H,1,10H2,2-4H3,(H,24,25)/t13-,15+,17?,19-,21-/m0/s1
InChIKeyFXUGCACUUONQJC-UEBIASGRSA-N
Species of MetaboliteComponentSourceComments
Hapalosiphon welwitschii (ncbitaxon:162986) - DOI (10.1021/jo00226a009)
ChEBI Ontology
Outgoing Relation(s)
Hapalonamide A (CHEBI:201858) is a anthracenes (CHEBI:46955)
IUPAC Name 
N-[(6R,7R,8S,10aS)-6-chloro-7-ethenyl-8-isocyano-7,10,10-trimethyl-9-oxo-6,8,8a,10a-tetrahydro-5H-anthracen-1-yl]ormamide
Manual XrefsDatabases
78440660ChemSpider