EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:230576 - isogravacridonechlorine

Default Structure
ChEBI IDCHEBI:230576
ChEBI Nameisogravacridonechlorine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H18ClNO4
Net Charge0
Average Mass359.809
Monoisotopic Mass359.09244
SMILESCn1c2ccccc2c(=O)c2c(O)cc3c(c21)CC(C(C)(O)CCl)O3
InChIInChI=1S/C19H18ClNO4/c1-19(24,9-20)15-7-11-14(25-15)8-13(22)16-17(11)21(2)12-6-4-3-5-10(12)18(16)23/h3-6,8,15,22,24H,7,9H2,1-2H3
InChIKeyPGOOUZZLZBIMRI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
isogravacridonechlorine (CHEBI:230576) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
2-(1-chloro-2-hydroxypropan-2-yl)-5-hydroxy-11-methyl-1,2-dihydrouro[2,3-c]acridin-6-one
Manual XrefsDatabases
4589118ChemSpider
HMDB0030189HMDB