CHEBI:69781 - chlorajaponilide E, (rel)-

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ChEBI Name chlorajaponilide E, (rel)-
ChEBI ID CHEBI:69781
Definition A natural product found in Chloranthus japonicus.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C36H42O12
Net Charge 0
Average Mass 666.71150
Monoisotopic Mass 666.26763
InChI InChI=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
InChIKey UCIMZKYTYXUXCC-YJTVKYOCSA-N
SMILES [H][C@]12C[C@@]1([H])[C@@]1(C)[C@@]([H])(CC3=C(CO)C(=O)O[C@@]33C4=C5[C@@](C)([C@@H](O)C(=O)C\4=C(\C)C(=O)OC)[C@]4([H])C[C@]4([H])[C@]5(C[C@@]13[H])OO)[C@]2(O)COC(=O)C(\C)=C\C
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 E, (rel)- (CHEBI:69781) has role metabolite (CHEBI:25212)
chlorajaponilide E, (rel)- (CHEBI:69781) 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:steroid ester(CHEBI:47880); ISA:terpene lactone(CHEBI:37668); ISA:carbonyl compound(CHEBI:36586); ISA:fatty acid ester(CHEBI:35748); ISA:butenolide(CHEBI:50523); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:tertiary alcohol(CHEBI:26878); ISA:enoate ester(CHEBI:51702); ISA:carboxylic ester(CHEBI:33308); ISA:peroxol(CHEBI:35924); ISA:lactone(CHEBI:25000); ISA:secondary alcohol(CHEBI:35681); ISA:organic hydroxy compound(CHEBI:33822); ISA:cyclic ketone(CHEBI:3992); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352); ISA:primary alcohol(CHEBI:15734);