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

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ChEBI Name 6,7-Di-O-nicotinoylscutebarbatine G, (rel)
ChEBI ID CHEBI:66488
Definition A natural product found in Scutellaria barbata.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C38H39N3O9
Net Charge 0
Average Mass 681.73100
Monoisotopic Mass 681.26863
InChI InChI=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
InChIKey JSOPCSZTJHEWCM-LPOFKSSBSA-N
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
Metabolite of Species Details
Scutellaria barbata (NCBI:txid396367) Found in aerial part (BTO:0001658). See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 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)
Citation Waiting for Citations Type Source
17666848 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:organooxygen compound(CHEBI:36963); HFP:tetracarboxylic acid(CHEBI:35742); ISA:naphthalenes(CHEBI:25477); ISA:pyridines(CHEBI:26421); ISA:aromatic carboxylic acid(CHEBI:33859); ISA:pyrans(CHEBI:26407); ISA:gamma-lactone(CHEBI:37581); ISA:monosaccharide(CHEBI:35381); ISA:oxanes(CHEBI:46942); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:oxolanes(CHEBI:26912); ISA:carboxylic ester(CHEBI:33308); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352); ISA:carbonyl compound(CHEBI:36586);