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CHEBI:69778 - chlorajaponilide B, (rel)-

Default Structure
ChEBI IDCHEBI:69778
ChEBI Namechlorajaponilide B, (rel)-
Stars
DefinitionA natural product found in Chloranthus japonicus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC39H40O14
Net Charge0
Average Mass732.735
Monoisotopic Mass732.24181
SMILES[H][C@@]12C=C3[C@@]4(O)[C@]([H])(C5=C(C)C(=O)O[C@]5(O)C(=O)[C@@]4(C)[C@]4([H])C[C@]34[H])[C@@]13OC(=O)C1=C3C[C@@]3([H])[C@](O)(COC(=O)/C=C(\C)COC(=O)CCC(=O)OC1)[C@@]1([H])C[C@@]1([H])[C@]23C
InChIInChI=1S/C39H40O14/c1-15-7-28(42)51-14-36(46)23-9-22(23)34(3)24(36)10-20-18(13-50-27(41)6-5-26(40)49-12-15)32(44)52-37(20)25(34)11-21-17-8-19(17)35(4)33(45)39(48)29(16(2)31(43)53-39)30(37)38(21,35)47/h7,11,17,19,22-25,30,46-48H,5-6,8-10,12-14H2,1-4H3/b15-7+/t17-,19+,22+,23-,24+,25-,30+,34-,35+,36-,37-,38+,39-/m0/s1
InChIKeyCFZSYGYUFBAGCH-QGHUWLITSA-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 B, (rel)- (CHEBI:69778) has role metabolite (CHEBI:25212)
chlorajaponilide B, (rel)- (CHEBI:69778) is a triterpenoid (CHEBI:36615)
Citations