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CHEBI:66448 - scutebarbatine H

ChEBI IDCHEBI:66448
ChEBI Namescutebarbatine H
Stars
DefinitionA natural product found in Scutellaria barbata.
Last Modified1 December 2014
DownloadsMolfile
FormulaC26H31NO7
Net Charge0
Average Mass469.534
Monoisotopic Mass469.21005
SMILES[H][C@]12CCC=C(C)[C@]1(C)[C@@H](OC(=O)c1cccnc1)[C@H](O)[C@](C)(O)[C@]2(C)[C@@]1([H])CC2=C(O1)C(=O)OC2
InChIInChI=1S/C26H31NO7/c1-14-7-5-9-17-24(14,2)21(34-22(29)15-8-6-10-27-12-15)20(28)26(4,31)25(17,3)18-11-16-13-32-23(30)19(16)33-18/h6-8,10,12,17-18,20-21,28,31H,5,9,11,13H2,1-4H3/t17-,18+,20-,21-,24-,25-,26-/m0/s1
InChIKeyADBRHQRSKHISPR-JYNQJKKPSA-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)
scutebarbatine H (CHEBI:66448) is a diterpene alkaloid (CHEBI:23847)
scutebarbatine H (CHEBI:66448) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
(1R,2S,3R,4S,4aS,8aR)-2,3-dihydroxy-3,4,8,8a-tetramethyl-4-[(2R)-6-oxo-2,3,4,6-tetrahydrofuro[3,4-b]furan-2-yl]-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl pyridine-3-carboxylate
Citations