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CHEBI:68978 - Biexcisusin D, (rel)-

Default Structure
ChEBI IDCHEBI:68978
ChEBI NameBiexcisusin D, (rel)-
Stars
DefinitionA natural product found in Isodon excisus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC48H66O16
Net Charge0
Average Mass899.040
Monoisotopic Mass898.43509
SMILES[H][C@]12C[C@H](OC(C)=O)[C@]3([H])[C@@](C[C@H](O)[C@]4([H])C(C)(C)[C@@H](OC(C)=O)C[C@H](O)[C@@]34C)(C1)C(=O)O[C@]1(CCC2=O)C(=O)[C@@]23CC(=O)[C@]4([H])C(C)(C)[C@@H](OC(C)=O)C[C@H](O)[C@@]4(C)[C@]2([H])[C@@H](OC(C)=O)C[C@@]1([H])C3
InChIInChI=1S/C48H66O16/c1-21(49)60-30-13-25-17-47(20-29(55)37-43(7,8)35(63-24(4)52)16-33(57)45(37,10)39(30)47)41(59)64-48(12-11-27(25)53)26-14-31(61-22(2)50)38-44(9)32(56)15-34(62-23(3)51)42(5,6)36(44)28(54)19-46(38,18-26)40(48)58/h25-26,29-39,55-57H,11-20H2,1-10H3/t25-,26-,29-,30-,31-,32-,33-,34-,35-,36+,37+,38-,39-,44+,45+,46-,47-,48-/m0/s1
InChIKeyNAPTWLIZMNEUSP-KCHFDYNQSA-N
Species of MetaboliteComponentSourceComments
Isodon excisus (ncbitaxon:705303) aerial part (BTO:0001658) PubMed (22066578) Methanolic extract of air-dried and powdered aerial parts
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)
Biexcisusin D, (rel)- (CHEBI:68978) has role metabolite (CHEBI:25212)
Biexcisusin D, (rel)- (CHEBI:68978) is a triterpenoid (CHEBI:36615)
Citations