CHEBI:217205 - Bauerine B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Bauerine B
ChEBI ID CHEBI:217205
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ChemicalBook:CB3167375, ChemicalBook:CB4183426, eMolecules:494487, ZINC000000899824
Download Molfile XML SDF
Formula C12H8Cl2N2
Net Charge 0
Average Mass 251.110
Monoisotopic Mass 250.00645
InChI InChI=1S/C12H8Cl2N2/c1-16-10-6-15-5-4-7(10)8-2-3-9(13)11(14)12(8)16/h2-6H,1H3
InChIKey XGTYSLIGRKUXED-UHFFFAOYSA-N
SMILES ClC1=C(Cl)C=CC2=C1N(C=3C=NC=CC23)C
Metabolite of Species Details
Dichothrix (NCBI:txid1316747) See: DOI
ChEBI Ontology
Outgoing Bauerine B (CHEBI:217205) is a β-carbolines (CHEBI:60834)
IUPAC Name
7,8-dichloro-9-methylpyrido[3,4-b]indole
Manual Xref Database
164911 ChemSpider
View more database links