CHEBI:107613 - LSM-18969

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ChEBI Name LSM-18969
ChEBI ID CHEBI:107613
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H17BrN2O7
Net Charge 0
Average Mass 489.273
Monoisotopic Mass 488.02191
InChI InChI=1S/C21H17BrN2O7/c1-9-4-5-13(30-9)19(26)16-17(11-7-12(22)18(25)14(8-11)29-3)24(21(28)20(16)27)15-6-10(2)31-23-15/h4-8,16-17,25H,1-3H3
InChIKey JKRCRUWDYASULG-UHFFFAOYSA-N
SMILES CC1=CC=C(O1)C(=O)C2C(N(C(=O)C2=O)C3=NOC(=C3)C)C4=CC(=C(C(=C4)Br)O)OC
ChEBI Ontology
Outgoing LSM-18969 (CHEBI:107613) is a pyrrolidines (CHEBI:38260)
Manual Xref Database
LSM-18969 LINCS
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