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CHEBI:213267 - Bipolamine H

ChEBI IDCHEBI:213267
ChEBI NameBipolamine H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H24N2O3
Net Charge0
Average Mass340.423
Monoisotopic Mass340.17869
SMILESCc1ccc2n1[C@H](C)[C@H]1O[C@]3([C@H](C)O)C=Cc4ccc(C)n4[C@H]1[C@]23O
InChIInChI=1S/C20H24N2O3/c1-11-6-8-16-20(24)18-17(13(3)21(11)16)25-19(20,14(4)23)10-9-15-7-5-12(2)22(15)18/h5-10,13-14,17-18,23-24H,1-4H3/t13-,14+,17-,18-,19+,20-/m1/s1
InChIKeyLDOSSDODSGTRGF-QVFZOTCZSA-N
Species of MetaboliteComponentSourceComments
Bipolaris (ncbitaxon:33194) - PubMed (31882449)
ChEBI Ontology
Outgoing Relation(s)
Bipolamine H (CHEBI:213267) is a organic heterobicyclic compound (CHEBI:27171)
Bipolamine H (CHEBI:213267) is a organonitrogen heterocyclic compound (CHEBI:38101)
IUPAC Name 
(1S,2R,10S,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-4,6,8,15,17-pentaen-1-ol