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CHEBI:8903 - Roxburghine B

ChEBI IDCHEBI:8903
ChEBI NameRoxburghine B
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC31H32N4O2
Net Charge0
Average Mass492.623
Monoisotopic Mass492.25253
SMILES[H][C@@]12CN3CCc4c(nc5ccccc45)[C@@]3([H])C[C@]1([H])C(C(=O)OC)=CN1CCc3c(nc4ccccc34)[C@]12C
InChIInChI=1S/C31H32N4O2/c1-31-24-17-34-13-11-20-18-7-3-5-9-25(18)32-28(20)27(34)15-22(24)23(30(36)37-2)16-35(31)14-12-21-19-8-4-6-10-26(19)33-29(21)31/h3-10,16,22,24,27,32-33H,11-15,17H2,1-2H3/t22-,24-,27-,31-/m1/s1
InChIKeySHKMVIVFLHPOSB-TVRWTGHXSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Roxburghine B (CHEBI:8903) is a alkaloid (CHEBI:22315)
Synonym  Source
Roxburghine BKEGG COMPOUND
Manual XrefsDatabases
C00001765KNApSAcK
C09237KEGG COMPOUND
Registry NumbersSources
CAS:27932-46-3KEGG COMPOUND