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CHEBI:70177 - Chlorajaponol, (rel)-

Default Structure
ChEBI IDCHEBI:70177
ChEBI NameChlorajaponol, (rel)-
Stars
DefinitionA natural product found in Chloranthus japonicus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC41H48O13
Net Charge0
Average Mass748.822
Monoisotopic Mass748.30949
SMILES[H][C@]12C[C@@]1([H])[C@@]1(C)C(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/C
InChIInChI=1S/C41H48O13/c1-8-17(2)35(46)53-16-40(49)25-13-24(25)38(4)26(40)14-23-21(15-52-29(43)10-9-28(42)50-6)37(48)54-41(23)27(38)12-20-19-11-22(19)39(5)31(20)32(41)30(33(44)34(39)45)18(3)36(47)51-7/h8,19,22,24-27,32,34,45,49H,9-16H2,1-7H3/b17-8+,30-18-/t19-,22-,24-,25+,26?,27+,32+,34+,38+,39+,40+,41+/m1/s1
InChIKeyXJVVFPZRUWTRKM-HMAJTNGPSA-N
Species of MetaboliteComponentSourceComments
Chloranthus japonicus (ncbitaxon:13007) whole plant (BTO:0001461) PubMed (21142110) 95% ethanolic extract of whole 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)
Chlorajaponol, (rel)- (CHEBI:70177) has role metabolite (CHEBI:25212)
Chlorajaponol, (rel)- (CHEBI:70177) is a triterpenoid (CHEBI:36615)
Citations