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CHEBI:198216 - Calothrixin A

ChEBI IDCHEBI:198216
ChEBI NameCalothrixin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H10N2O3
Net Charge0
Average Mass314.300
Monoisotopic Mass314.06914
SMILESO=C1c2c[n+]([O-])c3ccccc3c2C(=O)c2nc3ccccc3c21
InChIInChI=1S/C19H10N2O3/c22-18-12-9-21(24)14-8-4-2-6-11(14)15(12)19(23)17-16(18)10-5-1-3-7-13(10)20-17/h1-9,20H
InChIKeyCMDAFIAGTOCRGL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Calothrixspecies (ncbitaxon:1187) - DOI (10.1016/s0040-4020(99)00833-9)
ChEBI Ontology
Outgoing Relation(s)
Calothrixin A (CHEBI:198216) is a phenanthridines (CHEBI:51245)
IUPAC Name 
20-oxido-10-aza-20-azoniapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),3(11),4,6,8,14,16,18,20-nonaene-2,12-dione
Manual XrefsDatabases
8102501ChemSpider