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CHEBI:66490 - 7-O-Nicotinoyl scutebarbatine H, (rel)

Default Structure
ChEBI IDCHEBI:66490
ChEBI Name7-O-Nicotinoyl scutebarbatine H, (rel)
Stars
DefinitionA natural product found in Scutellaria barbata.
Last Modified22 September 2014
DownloadsMolfile
FormulaC32H34N2O8
Net Charge0
Average Mass574.630
Monoisotopic Mass574.23152
SMILES[H][C@]12CCC=C(C)[C@]1(C)[C@@H](OC(=O)c1cccnc1)[C@H](OC(=O)c1cccnc1)[C@](C)(O)[C@]2(C)[C@@]1([H])CC2=C(O1)C(=O)OC2
InChIInChI=1S/C32H34N2O8/c1-18-8-5-11-22-30(18,2)25(41-27(35)19-9-6-12-33-15-19)26(42-28(36)20-10-7-13-34-16-20)32(4,38)31(22,3)23-14-21-17-39-29(37)24(21)40-23/h6-10,12-13,15-16,22-23,25-26,38H,5,11,14,17H2,1-4H3/t22-,23+,25-,26-,30-,31-,32-/m0/s1
InChIKeySWHUWIGLVRXJBW-IVZGSMFXSA-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)
7-O-Nicotinoyl scutebarbatine H, (rel) (CHEBI:66490) has role metabolite (CHEBI:25212)
7-O-Nicotinoyl scutebarbatine H, (rel) (CHEBI:66490) is a diterpene lactone (CHEBI:49193)
Citations