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CHEBI:94835 - LSM-6048

ChEBI IDCHEBI:94835
ChEBI NameLSM-6048
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DownloadsMolfile
Formula2C13H16N2O.C23H16O6
Net Charge0
Average Mass820.943
Monoisotopic Mass820.34721
SMILESCN1CCCN=C1C=Cc1cccc(O)c1.CN1CCCN=C1C=Cc1cccc(O)c1.O=C(O)c1c(O)cc2ccccc2c1Cc1c(C(=O)O)c(O)cc2ccccc12
InChIInChI=1S/C23H16O6.2C13H16N2O/c24-18-9-12-5-1-3-7-14(12)16(20(18)22(26)27)11-17-15-8-4-2-6-13(15)10-19(25)21(17)23(28)29;2*1-15-9-3-8-14-13(15)7-6-11-4-2-5-12(16)10-11/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2*2,4-7,10,16H,3,8-9H2,1H3
InChIKeyWSYDAPQDBDVYIO-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
LSM-6048 (CHEBI:94835) is a naphthoic acid (CHEBI:25483)
Manual XrefsDatabases
LSM-6048LINCS