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CHEBI:213240 - Bipolamine I

ChEBI IDCHEBI:213240
ChEBI NameBipolamine I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26N2O2
Net Charge0
Average Mass326.440
Monoisotopic Mass326.19943
SMILESCc1ccc2n1[C@@H]1[C@@H]3O[C@H](C2)[C@H]([C@H](C)O)[C@H]1c1ccc(C)n1[C@@H]3C
InChIInChI=1S/C20H26N2O2/c1-10-6-8-15-18-17(13(4)23)16-9-14-7-5-11(2)22(14)19(18)20(24-16)12(3)21(10)15/h5-8,12-13,16-20,23H,9H2,1-4H3/t12-,13+,16-,17+,18-,19+,20-/m1/s1
InChIKeySHFBSYWABIFLSR-RLWFLIRSSA-N
Species of MetaboliteComponentSourceComments
Bipolaris (ncbitaxon:33194) - PubMed (31882449)
ChEBI Ontology
Outgoing Relation(s)
Bipolamine I (CHEBI:213240) is a organic heterobicyclic compound (CHEBI:27171)
Bipolamine I (CHEBI:213240) is a organonitrogen heterocyclic compound (CHEBI:38101)
IUPAC Name 
(1S)-1-[(1R,7R,8R,10R,17S,18S)-5,7,15-trimethyl-9-oxa-6,16-diazapentacyclo[8.7.1.02,6.08,17.012,16]octadeca-2,4,12,14-tetraen-18-yl]ethanol