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CHEBI:213234 - Bipolamine G

Default Structure
ChEBI IDCHEBI:213234
ChEBI NameBipolamine G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28N2O4
Net Charge0
Average Mass372.465
Monoisotopic Mass372.20491
SMILESCO[C@H]1c2ccc(C)n2[C@@H]2[C@@H]3O[C@]([C@H](C)O)([C@@H]1O)[C@H]2c1ccc(C)n1[C@@H]3C
InChIInChI=1S/C21H28N2O4/c1-10-6-8-14-16-17-18(12(3)22(10)14)27-21(16,13(4)24)20(25)19(26-5)15-9-7-11(2)23(15)17/h6-9,12-13,16-20,24-25H,1-5H3/t12-,13+,16+,17+,18-,19+,20-,21+/m1/s1
InChIKeyZDGRLFJJTVAFQR-YIONPTFZSA-N
Species of MetaboliteComponentSourceComments
Bipolaris (ncbitaxon:33194) - PubMed (31882449)
ChEBI Ontology
Outgoing Relation(s)
Bipolamine G (CHEBI:213234) is a organic heterobicyclic compound (CHEBI:27171)
Bipolamine G (CHEBI:213234) is a organonitrogen heterocyclic compound (CHEBI:38101)
IUPAC Name 
(1R,2S,8S,9R,10R,12R,13R)-10-[(1S)-1-hydroxyethyl]-8-methoxy-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