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CHEBI:227290 - Actinophenanthroline B

ChEBI IDCHEBI:227290
ChEBI NameActinophenanthroline B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H21N3O4
Net Charge0
Average Mass367.405
Monoisotopic Mass367.15321
SMILESCc1ccc2c(NC(=O)[C@H](C)O)c(O)c3c(c2n1)C=C[C@@]1(C)CCC(=O)N31
InChIInChI=1S/C20H21N3O4/c1-10-4-5-12-15(21-10)13-6-8-20(3)9-7-14(25)23(20)17(13)18(26)16(12)22-19(27)11(2)24/h4-6,8,11,24,26H,7,9H2,1-3H3,(H,22,27)/t11-,20-/m0/s1
InChIKeyKEVHVUDICWQEAA-YBTHPKLGSA-N
ChEBI Ontology
Outgoing Relation(s)
Actinophenanthroline B (CHEBI:227290) is a oxo steroid (CHEBI:35789)
IUPAC Name 
(2S)-N-[(12aR)-5-hydroxy-9,12a-dimethyl-3-oxo-1,2-dihydropyrrolo[1,2-i][1,7]phenanthrolin-6-yl]-2-hydroxypropanamide
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