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

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ChEBI Name 6-O-Nicotinoyl-7-O-acetylscutebarbatine G, (rel)
ChEBI ID CHEBI:66489
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 C34H38N2O9
Net Charge 0
Average Mass 618.67350
Monoisotopic Mass 618.25773
InChI InChI=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
InChIKey MCZQKBCMIDJMDT-RJGRQJGLSA-N
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
Metabolite of Species Details
Scutellaria barbata (NCBI:txidtxid396367) 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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)
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);