CHEBI:69778 - chlorajaponilide B, (rel)-

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ChEBI Name chlorajaponilide B, (rel)-
ChEBI ID CHEBI:69778
Definition A natural product found in Chloranthus japonicus.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C39H40O14
Net Charge 0
Average Mass 732.72650
Monoisotopic Mass 732.24181
InChI InChI=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
InChIKey CFZSYGYUFBAGCH-QGHUWLITSA-N
SMILES [H][C@]12C[C@@]1([H])[C@]1(C)C(=O)[C@@]3(O)OC(=O)C(C)=C3[C@@]3([H])[C@]1(O)C2=C[C@@]1([H])[C@@]2(C)[C@]4([H])C[C@]4([H])[C@@]4(O)COC(=O)\C=C(C)\COC(=O)CCC(=O)OCC5=C(C[C@]24[H])[C@@]31OC5=O
Metabolite of Species Details
Chloranthus japonicus (NCBI:txid13007) Found in whole plant (BTO:0001461). Methanolic extract of dried and powdered plant See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing chlorajaponilide B, (rel)- (CHEBI:69778) has role metabolite (CHEBI:25212)
chlorajaponilide B, (rel)- (CHEBI:69778) is a triterpenoid (CHEBI:36615)
Citation Waiting for Citations Type Source
21650224 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:terpene lactone(CHEBI:37668); ISA:carbonyl compound(CHEBI:36586); ISA:ketone(CHEBI:17087); ISA:carboxylic ester(CHEBI:33308); ISA:cyclohexanones(CHEBI:23482); ISA:butenolide(CHEBI:50523); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:tertiary alcohol(CHEBI:26878); ISA:enoate ester(CHEBI:51702); ISA:polyol(CHEBI:26191); ISA:organic hydroxy compound(CHEBI:33822); ISA:hemiacetal(CHEBI:5653); ISA:lactone(CHEBI:25000);