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CHEBI:68975 - Biexcisusin A, (rel)-

Default Structure
ChEBI IDCHEBI:68975
ChEBI NameBiexcisusin A, (rel)-
Stars
DefinitionA natural product found in Isodon excisus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC48H70O16
Net Charge0
Average Mass903.072
Monoisotopic Mass902.46639
SMILES[H][C@]12C[C@H](O)[C@]3([H])[C@@](C[C@H](O)[C@]4([H])C(C)(C)[C@@H](OC(C)=O)C[C@H](OC(C)=O)[C@@]34C)(C1)C(=O)[C@]2(O)CC[C@@]1(O)C(=O)[C@@]23C[C@H](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/C48H70O16/c1-21(49)61-30-14-26-18-46(20-28(54)35-41(5,6)32(62-22(2)50)15-31(56)43(35,9)38(30)46)40(58)48(26,60)12-11-47(59)25-13-27(53)37-44(10)34(64-24(4)52)16-33(63-23(3)51)42(7,8)36(44)29(55)19-45(37,17-25)39(47)57/h25-38,53-56,59-60H,11-20H2,1-10H3/t25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35+,36+,37-,38-,43+,44+,45-,46-,47-,48-/m0/s1
InChIKeyXZEKVUGXYUJKNA-VMAKWLQMSA-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 A, (rel)- (CHEBI:68975) has role metabolite (CHEBI:25212)
Biexcisusin A, (rel)- (CHEBI:68975) is a triterpenoid (CHEBI:36615)
Citations