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CHEBI:66452 - Scutebarbatine L(rel)

ChEBI IDCHEBI:66452
ChEBI NameScutebarbatine L(rel)
Stars
DefinitionA natural product found in Scutellaria barbata.
Last Modified22 September 2014
DownloadsMolfile
FormulaC33H41NO9
Net Charge0
Average Mass595.689
Monoisotopic Mass595.27813
SMILES[H][C@]12CCC=C(C)[C@]1(C)[C@@H](OC(=O)c1cccnc1)[C@H](OC(=O)C(OC(C)=O)C(C)C)[C@](C)(O)[C@]2(C)/C=C/C1=CC(=O)OC1
InChIInChI=1S/C33H41NO9/c1-19(2)26(41-21(4)35)30(38)43-28-27(42-29(37)23-11-9-15-34-17-23)32(6)20(3)10-8-12-24(32)31(5,33(28,7)39)14-13-22-16-25(36)40-18-22/h9-11,13-17,19,24,26-28,39H,8,12,18H2,1-7H3/b14-13+/t24-,26?,27+,28+,31-,32+,33+/m1/s1
InChIKeyQLQRVRCHRRIMMB-ZDYHSNSLSA-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 L(rel) (CHEBI:66452) has role metabolite (CHEBI:25212)
Scutebarbatine L(rel) (CHEBI:66452) is a diterpene lactone (CHEBI:49193)
Citations