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CHEBI:66489 - 6-O-Nicotinoyl-7-O-acetylscutebarbatine G, (rel)

ChEBI IDCHEBI:66489
ChEBI Name6-O-Nicotinoyl-7-O-acetylscutebarbatine G, (rel)
Stars
DefinitionA natural product found in Scutellaria barbata.
Last Modified22 September 2014
DownloadsMolfile
FormulaC34H38N2O9
Net Charge0
Average Mass618.683
Monoisotopic Mass618.25773
SMILES[H][C@]12CCC=C(C)[C@]1(C)[C@@H](OC(=O)c1cccnc1)[C@H](OC(C)=O)[C@]1(C)O[C@@]3(COC(=O)C3)C[C@H](OC(=O)c3cccnc3)[C@]21C
InChIInChI=1S/C34H38N2O9/c1-20-9-6-12-24-31(20,3)27(44-30(40)23-11-8-14-36-18-23)28(42-21(2)37)33(5)32(24,4)25(15-34(45-33)16-26(38)41-19-34)43-29(39)22-10-7-13-35-17-22/h7-11,13-14,17-18,24-25,27-28H,6,12,15-16,19H2,1-5H3/t24-,25-,27-,28-,31-,32-,33-,34-/m0/s1
InChIKeyMCZQKBCMIDJMDT-RJGRQJGLSA-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-O-Nicotinoyl-7-O-acetylscutebarbatine G, (rel) (CHEBI:66489) has role metabolite (CHEBI:25212)
6-O-Nicotinoyl-7-O-acetylscutebarbatine G, (rel) (CHEBI:66489) is a organic heterotricyclic compound (CHEBI:26979)
6-O-Nicotinoyl-7-O-acetylscutebarbatine G, (rel) (CHEBI:66489) is a organooxygen compound (CHEBI:36963)
Citations