CHEBI:181932 - 3-Nitrobenzanthrone

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ChEBI Name 3-Nitrobenzanthrone
ChEBI ID CHEBI:181932
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H9NO3
Net Charge 0
Average Mass 275.263
Monoisotopic Mass 275.05824
InChI InChI=1S/C17H9NO3/c19-17-12-5-2-1-4-10(12)11-8-9-15(18(20)21)13-6-3-7-14(17)16(11)13/h1-9H
InChIKey QAJOWHGESRCVLY-UHFFFAOYSA-N
SMILES O=C1C=2C3=C(C=4C1=CC=CC4)C=CC([N+]([O-])=O)=C3C=CC2
Roles Classification
Biological Role(s): xenobiotic
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
(via phenanthrenes )
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ChEBI Ontology
Outgoing 3-Nitrobenzanthrone (CHEBI:181932) is a phenanthrenes (CHEBI:25961)
IUPAC Name
3-nitrobenzo[b]phenalen-7-one
Manual Xrefs Databases
2103821 ChemSpider
C20824 KEGG COMPOUND
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Registry Number Type Source
17117-34-9 CAS Registry Number ChemIDplus