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CHEBI:213224 - Bipolamine D

ChEBI IDCHEBI:213224
ChEBI NameBipolamine D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26N2O3
Net Charge0
Average Mass342.439
Monoisotopic Mass342.19434
SMILESCc1ccc2n1[C@@H]1[C@@H]3O[C@]([C@H](C)O)([C@@H](O)C2)[C@H]1c1ccc(C)n1[C@@H]3C
InChIInChI=1S/C20H26N2O3/c1-10-6-8-15-17-18-19(12(3)21(10)15)25-20(17,13(4)23)16(24)9-14-7-5-11(2)22(14)18/h5-8,12-13,16-19,23-24H,9H2,1-4H3/t12-,13+,16+,17+,18+,19-,20-/m1/s1
InChIKeyHNBKFXBALXUFRY-NCVFPUPRSA-N
Species of MetaboliteComponentSourceComments
Bipolaris (ncbitaxon:33194) - PubMed (31882449)
ChEBI Ontology
Outgoing Relation(s)
Bipolamine D (CHEBI:213224) is a organic heterobicyclic compound (CHEBI:27171)
Bipolamine D (CHEBI:213224) is a organonitrogen heterocyclic compound (CHEBI:38101)
IUPAC Name 
(1R,2S,9S,10R,12R,13R)-10-[(1S)-1-hydroxyethyl]-4,13,15-trimethyl-11-oxa-3,14-diazapentacyclo[8.8.0.02,12.03,7.014,18]octadeca-4,6,15,17-tetraen-9-ol