CHEBI:229923 - gravacridonolchlorine

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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 gravacridonolchlorine
ChEBI ID CHEBI:229923
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H18ClNO5
Net Charge 0
Average Mass 375.810
Monoisotopic Mass 375.08735
InChI InChI=1S/C19H18ClNO5/c1-21-12-5-3-2-4-10(12)18(25)16-13(24)7-14-11(17(16)21)6-15(26-14)19(20,8-22)9-23/h2-5,7,15,22-24H,6,8-9H2,1H3
InChIKey OYGSTYGNRLPAMK-UHFFFAOYSA-N
SMILES ClC(C1OC2=C(C1)C=3N(C=4C(C(=O)C3C(O)=C2)=CC=CC4)C)(CO)CO
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing gravacridonolchlorine (CHEBI:229923) has functional parent acridone (CHEBI:50756)
gravacridonolchlorine (CHEBI:229923) is a acridines (CHEBI:22213)
IUPAC Name
2-(2-chloro-1,3-dihydroxypropan-2-yl)-5-hydroxy-11-methyl-1,2-dihydrouro[2,3-c]acridin-6-one
Manual Xrefs Databases
4476570 ChemSpider
HMDB0029329 HMDB
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