CHEBI:213234 - Bipolamine G

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Bipolamine G
ChEBI ID CHEBI:213234
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H28N2O4
Net Charge 0
Average Mass 372.465
Monoisotopic Mass 372.20491
InChI InChI=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
InChIKey ZDGRLFJJTVAFQR-YIONPTFZSA-N
SMILES O1[C@@]2([C@H](O)[C@@H](OC)C3=CC=C(N3[C@@H]4[C@H]1[C@H](N5C(C)=CC=C5[C@H]24)C)C)[C@@H](O)C
Metabolite of Species Details
Bipolaris (NCBI:txid33194) See: PubMed
ChEBI Ontology
Outgoing 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