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CHEBI:213251 - Bipolamine C

ChEBI IDCHEBI:213251
ChEBI NameBipolamine C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H24N2O4
Net Charge0
Average Mass356.422
Monoisotopic Mass356.17361
SMILESCc1ccc2n1[C@H](C)[C@H]1O[C@]3([C@H](C)O)C=CC4=CC(=O)[C@@](C)(O)N4[C@H]1[C@H]23
InChIInChI=1S/C20H24N2O4/c1-10-5-6-14-16-17-18(11(2)21(10)14)26-20(16,12(3)23)8-7-13-9-15(24)19(4,25)22(13)17/h5-9,11-12,16-18,23,25H,1-4H3/t11-,12+,16+,17+,18-,19-,20+/m1/s1
InChIKeySHCHKIFVNAOEGF-HQFKNUPLSA-N
Species of MetaboliteComponentSourceComments
Bipolaris (ncbitaxon:33194) - PubMed (31882449)
ChEBI Ontology
Outgoing Relation(s)
Bipolamine C (CHEBI:213251) is a azepine (CHEBI:48105)
IUPAC Name 
(1R,2S,4R,10R,12R,13R)-4-hydroxy-10-[(1S)-1-hydroxyethyl]-4,13,15-trimethyl-11-oxa-3,14-diazapentacyclo[8.8.0.02,12.03,7.014,18]octadeca-6,8,15,17-tetraen-5-one