EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:67761 - Illicidione B

ChEBI IDCHEBI:67761
ChEBI NameIllicidione B
Stars
DefinitionA natural product found in Illicium oligandrum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC29H36O8
Net Charge0
Average Mass512.599
Monoisotopic Mass512.24102
SMILESC=CCC1=C[C@]2(O)C[C@H](C(C)(C)O)OC2=C(CC2=C3O[C@@H](C(C)(C)O)C[C@@]3(O)C=C(CC=C)C2=O)C1=O
InChIInChI=1S/C29H36O8/c1-7-9-16-12-28(34)14-20(26(3,4)32)36-24(28)18(22(16)30)11-19-23(31)17(10-8-2)13-29(35)15-21(27(5,6)33)37-25(19)29/h7-8,12-13,20-21,32-35H,1-2,9-11,14-15H2,3-6H3/t20-,21-,28+,29+/m1/s1
InChIKeyAVMQANMZZMKFSS-SKZNYKRCSA-N
Species of MetaboliteComponentSourceComments
Illicium oligandrum (ncbitaxon:145286) stem (BTO:0001300) PubMed (21524101) Previous component: stem bark; 95% ethanolic extract of air-dried stem bark
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)
Illicidione B (CHEBI:67761) has role metabolite (CHEBI:25212)
Illicidione B (CHEBI:67761) is a disaccharide (CHEBI:36233)
Citations