CHEBI:202934 - BE-54017

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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 BE-54017
ChEBI ID CHEBI:202934
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H18ClN3O5
Net Charge 0
Average Mass 451.860
Monoisotopic Mass 451.09350
InChI InChI=1S/C23H18ClN3O5/c1-25-14-9-8-11(24)10-13(14)16-17(25)18-19(32-3)12-6-4-5-7-15(12)27(18)23(31)21(29)26(2)20(28)22(16,23)30/h4-10,30-31H,1-3H3/t22-,23+/m1/s1
InChIKey IZWAXTFKQJBRQO-PKTZIBPZSA-N
SMILES ClC1=CC2=C(N(C)C3=C2[C@@]4(O)C(=O)N(C)C([C@@]4(O)N5C3=C(OC)C=6C=CC=CC56)=O)C=C1
ChEBI Ontology
Outgoing BE-54017 (CHEBI:202934) is a β-carbolines (CHEBI:60834)
IUPAC Name
(11S,15R)-7-chloro-11,15-dihydroxy-23-methoxy-3,13-dimethyl-3,13,16-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(23),2(10),4(9),5,7,17,19,21-octaene-12,14-dione
Manual Xref Database
32701083 ChemSpider
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