CHEBI:70177 - Chlorajaponol, (rel)-

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ChEBI Name Chlorajaponol, (rel)-
ChEBI ID CHEBI:70177
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 C41H48O13
Net Charge 0
Average Mass 748.81200
Monoisotopic Mass 748.30949
InChI InChI=1S/C41H48O13/c1-8-17(2)35(46)53-16-40(49)25-13-24(25)38(4)26(40)14-23-21(15-52-29(43)10-9-28(42)50-6)37(48)54-41(23)27(38)12-20-19-11-22(19)39(5)31(20)32(41)30(33(44)34(39)45)18(3)36(47)51-7/h8,19,22,24-27,32,34,45,49H,9-16H2,1-7H3/b17-8+,30-18-/t19-,22-,24-,25+,26?,27+,32+,34+,38+,39+,40+,41+/m1/s1
InChIKey XJVVFPZRUWTRKM-HMAJTNGPSA-N
SMILES [H][C@]12C[C@@]1([H])[C@]1(C)[C@@H](O)C(=O)\C(=C(\C)C(=O)OC)[C@@]3([H])C1=C2C[C@@]1([H])[C@]2(C)C(CC4=C(COC(=O)CCC(=O)OC)C(=O)O[C@]314)[C@](O)(COC(=O)C(\C)=C\C)[C@@]1([H])C[C@@]21[H]
Metabolite of Species Details
Chloranthus japonicus (NCBI:txid13007) Found in whole plant (BTO:0001461). 95% ethanolic extract of whole 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 Chlorajaponol, (rel)- (CHEBI:70177) has role metabolite (CHEBI:25212)
Chlorajaponol, (rel)- (CHEBI:70177) is a triterpenoid (CHEBI:36615)
Citation Waiting for Citations Type Source
21142110 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:organooxygen compound(CHEBI:36963); HFP:tetracarboxylic acid(CHEBI:35742); ISA:fatty acid methyl ester(CHEBI:4986); ISA:cyclohexanones(CHEBI:23482); ISA:dicarboxylic acid(CHEBI:35692); ISA:butenolide(CHEBI:50523); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:carboxylic ester(CHEBI:33308); ISA:tertiary alcohol(CHEBI:26878); ISA:enoate ester(CHEBI:51702); ISA:secondary alcohol(CHEBI:35681); ISA:lactone(CHEBI:25000); ISA:organic hydroxy compound(CHEBI:33822); ISA:organonitrogen compound(CHEBI:35352); ISA:ether(CHEBI:25698);