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CHEBI:66451 - Scutebarbatine K(rel)

ChEBI IDCHEBI:66451
ChEBI NameScutebarbatine K(rel)
Stars
DefinitionA natural product found in Scutellaria barbata.
Last Modified22 September 2014
DownloadsMolfile
FormulaC28H33NO7
Net Charge0
Average Mass495.572
Monoisotopic Mass495.22570
SMILES[H][C@]12CCC=C(C)[C@]1(C)[C@@H](OC(=O)c1cccnc1)[C@H](OC(C)=O)[C@](C)(O)[C@]2(C)/C=C/C1=CC(=O)OC1
InChIInChI=1S/C28H33NO7/c1-17-8-6-10-21-26(3,12-11-19-14-22(31)34-16-19)28(5,33)24(35-18(2)30)23(27(17,21)4)36-25(32)20-9-7-13-29-15-20/h7-9,11-15,21,23-24,33H,6,10,16H2,1-5H3/b12-11+/t21-,23+,24+,26-,27+,28+/m1/s1
InChIKeyZAAJNCSDZGGPSE-GNSXTQCCSA-N
Species of MetaboliteComponentSourceComments
Scutellaria barbata (ncbitaxon:396367) aerial part (BTO:0001658) PubMed (18239311)
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)
Scutebarbatine K(rel) (CHEBI:66451) has role metabolite (CHEBI:25212)
Scutebarbatine K(rel) (CHEBI:66451) is a diterpene lactone (CHEBI:49193)
Citations