EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:69779 - chlorajaponilide C

Default Structure
ChEBI IDCHEBI:69779
ChEBI Namechlorajaponilide C
Stars
DefinitionA natural product found in Chloranthus japonicus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC41H48O14
Net Charge0
Average Mass764.821
Monoisotopic Mass764.30441
SMILES[H][C@]12C[C@@]1([H])[C@@]1(C)[C@@]([H])(CC3=C(COC(=O)CCC(=O)OC)C(=O)O[C@]34[C@@]1([H])CC1=C3[C@@](C)([C@@H](O)C(=O)/C(=C(/C)C(=O)OC)[C@@]34[H])[C@]3([H])C[C@]13[H])[C@]2(O)COC(=O)/C=C(\C)CO
InChIInChI=1S/C41H48O14/c1-17(14-42)9-30(45)54-16-40(50)25-12-24(25)38(3)26(40)13-23-21(15-53-29(44)8-7-28(43)51-5)37(49)55-41(23)27(38)11-20-19-10-22(19)39(4)32(20)33(41)31(34(46)35(39)47)18(2)36(48)52-6/h9,19,22,24-27,33,35,42,47,50H,7-8,10-16H2,1-6H3/b17-9+,31-18-/t19-,22-,24-,25+,26-,27+,33+,35+,38+,39+,40+,41+/m1/s1
InChIKeyBZYXGNOWZQQMDJ-JGJIUCFZSA-N
Species of MetaboliteComponentSourceComments
Chloranthus japonicus (ncbitaxon:13007) whole plant (BTO:0001461) PubMed (21650224) Methanolic extract of dried and powdered plant
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)
chlorajaponilide C (CHEBI:69779) has role metabolite (CHEBI:25212)
chlorajaponilide C (CHEBI:69779) is a triterpenoid (CHEBI:36615)
Citations