EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:68976 - Biexcisusin B, (rel)-

Default Structure
ChEBI IDCHEBI:68976
ChEBI NameBiexcisusin B, (rel)-
Stars
DefinitionA natural product found in Isodon excisus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC48H68O14
Net Charge0
Average Mass869.058
Monoisotopic Mass868.46091
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)C1=C2CC[C@@]2(O1)C(=O)[C@@]13C[C@H](O)[C@]4([H])C(C)(C)[C@@H](OC(C)=O)C[C@H](O)[C@@]4(C)[C@]1([H])[C@@H](OC(C)=O)C[C@@]2([H])C3
InChIInChI=1S/C48H68O14/c1-21(49)58-30-13-25-17-46(19-28(53)36-42(5,6)34(60-23(3)51)15-32(55)44(36,9)38(30)46)40-27(25)11-12-48(62-40)26-14-31(59-22(2)50)39-45(10)33(56)16-35(61-24(4)52)43(7,8)37(45)29(54)20-47(39,18-26)41(48)57/h25-26,28-39,53-56H,11-20H2,1-10H3/t25-,26-,28-,29-,30-,31-,32-,33-,34-,35-,36+,37+,38-,39-,44+,45+,46-,47-,48-/m0/s1
InChIKeyLXQRUBFETHTMTE-XTETYGSLSA-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 B, (rel)- (CHEBI:68976) has role metabolite (CHEBI:25212)
Biexcisusin B, (rel)- (CHEBI:68976) is a triterpenoid (CHEBI:36615)
Citations