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CHEBI:94569 - calcium (3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoate

ChEBI IDCHEBI:94569
ChEBI Namecalcium (3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoate
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DownloadsMolfile
Formula2C25H23FNO4.Ca
Net Charge0
Average Mass880.998
Monoisotopic Mass880.28481
SMILESO=C([O-])C[C@H](O)C[C@H](O)C=Cc1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1.O=C([O-])C[C@H](O)C[C@H](O)C=Cc1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1.[Ca+2]
InChIInChI=1S/2C25H24FNO4.Ca/c2*26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31;/h2*1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31);/q;;+2/p-2/t2*18-,19-;/m11./s1
InChIKeyRHGYHLPFVJEAOC-ZGSPBYFDSA-L
ChEBI Ontology
Outgoing Relation(s)
calcium (3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoate (CHEBI:94569) is a quinolines (CHEBI:26513)
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