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CHEBI:66488 - 6,7-Di-O-nicotinoylscutebarbatine G, (rel)

ChEBI IDCHEBI:66488
ChEBI Name6,7-Di-O-nicotinoylscutebarbatine G, (rel)
Stars
DefinitionA natural product found in Scutellaria barbata.
Last Modified22 September 2014
DownloadsMolfile
FormulaC38H39N3O9
Net Charge0
Average Mass681.742
Monoisotopic Mass681.26863
SMILES[H][C@]12CCC=C(C)[C@]1(C)[C@@H](OC(=O)c1cccnc1)[C@H](OC(=O)c1cccnc1)[C@]1(C)O[C@@]3(COC(=O)C3)C[C@H](OC(=O)c3cccnc3)[C@]21C
InChIInChI=1S/C38H39N3O9/c1-23-9-5-13-27-35(23,2)30(48-33(44)25-11-7-15-40-20-25)31(49-34(45)26-12-8-16-41-21-26)37(4)36(27,3)28(17-38(50-37)18-29(42)46-22-38)47-32(43)24-10-6-14-39-19-24/h6-12,14-16,19-21,27-28,30-31H,5,13,17-18,22H2,1-4H3/t27-,28-,30-,31-,35-,36-,37-,38-/m0/s1
InChIKeyJSOPCSZTJHEWCM-LPOFKSSBSA-N
Species of MetaboliteComponentSourceComments
Scutellaria barbata (ncbitaxon:396367) aerial part (BTO:0001658) PubMed (17666848)
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)
6,7-Di-O-nicotinoylscutebarbatine G, (rel) (CHEBI:66488) has role metabolite (CHEBI:25212)
6,7-Di-O-nicotinoylscutebarbatine G, (rel) (CHEBI:66488) is a organic heterotricyclic compound (CHEBI:26979)
6,7-Di-O-nicotinoylscutebarbatine G, (rel) (CHEBI:66488) is a organooxygen compound (CHEBI:36963)
Citations