CHEBI:230576 - isogravacridonechlorine

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name isogravacridonechlorine
ChEBI ID CHEBI:230576
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H18ClNO4
Net Charge 0
Average Mass 359.810
Monoisotopic Mass 359.09244
InChI InChI=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
InChIKey PGOOUZZLZBIMRI-UHFFFAOYSA-N
SMILES ClCC(O)(C1OC2=C(C1)C=3N(C=4C(C(=O)C3C(O)=C2)=CC=CC4)C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
4589118 ChemSpider
HMDB0030189 HMDB
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