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CHEBI:69781 - chlorajaponilide E, (rel)-

Default Structure
ChEBI IDCHEBI:69781
ChEBI Namechlorajaponilide E, (rel)-
Stars
DefinitionA natural product found in Chloranthus japonicus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC36H42O12
Net Charge0
Average Mass666.720
Monoisotopic Mass666.26763
SMILES[H][C@]12C[C@@]1([H])[C@@]1(C)[C@@]([H])(CC3=C(CO)C(=O)O[C@@]34C3=C5[C@@](C)([C@@H](O)C(=O)/C3=C(/C)C(=O)OC)[C@]3([H])C[C@]3([H])[C@@]5(OO)C[C@]41[H])[C@]2(O)COC(=O)/C(C)=C/C
InChIInChI=1S/C36H42O12/c1-7-14(2)29(40)46-13-34(43)20-8-18(20)32(4)22(34)10-17-16(12-37)31(42)47-36(17)23(32)11-35(48-44)21-9-19(21)33(5)27(35)25(36)24(26(38)28(33)39)15(3)30(41)45-6/h7,18-23,28,37,39,43-44H,8-13H2,1-6H3/b14-7+,24-15-/t18-,19-,20+,21+,22-,23+,28+,32+,33+,34+,35+,36+/m1/s1
InChIKeyUCIMZKYTYXUXCC-YJTVKYOCSA-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 E, (rel)- (CHEBI:69781) has role metabolite (CHEBI:25212)
chlorajaponilide E, (rel)- (CHEBI:69781) is a triterpenoid (CHEBI:36615)
Citations