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CHEBI:69777 - chlorajaponilide A

Default Structure
ChEBI IDCHEBI:69777
ChEBI Namechlorajaponilide A
Stars
DefinitionA natural product found in Chloranthus japonicus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC39H40O13
Net Charge0
Average Mass716.736
Monoisotopic Mass716.24689
SMILES[H][C@]12OC(=O)C(C)=C1[C@@]1([H])[C@]3(O)C(=C[C@]4([H])[C@]15OC(=O)C1=C5C[C@@]5([H])[C@](O)(COC(=O)/C=C(\C)COC(=O)CCC(=O)OC1)[C@@]1([H])C[C@@]1([H])[C@]45C)[C@@]1([H])C[C@@]1([H])[C@]3(C)C2=O
InChIInChI=1S/C39H40O13/c1-15-7-28(42)50-14-37(46)23-9-22(23)35(3)24(37)10-20-18(13-49-27(41)6-5-26(40)48-12-15)34(45)52-38(20)25(35)11-21-17-8-19(17)36(4)32(43)30-29(16(2)33(44)51-30)31(38)39(21,36)47/h7,11,17,19,22-25,30-31,46-47H,5-6,8-10,12-14H2,1-4H3/b15-7+/t17-,19+,22+,23-,24+,25-,30-,31+,35-,36+,37-,38-,39+/m0/s1
InChIKeyKWQBVPDAXNTKKY-RQRDWLNHSA-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 A (CHEBI:69777) has role metabolite (CHEBI:25212)
chlorajaponilide A (CHEBI:69777) is a triterpenoid (CHEBI:36615)
Citations