CHEBI:69783 - shizukaol B

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ChEBI Name shizukaol B
ChEBI ID CHEBI:69783
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 C40H44O13
Net Charge 0
Average Mass 732.76960
Monoisotopic Mass 732.27819
InChI InChI=1S/C40H44O13/c1-16-8-9-50-27(41)6-7-28(42)51-14-20-22-13-25-37(3,23-12-24(23)39(25,48)15-52-34(16)45)26-11-19-18-10-21(18)38(4)30(19)31(40(22,26)53-36(20)47)29(32(43)33(38)44)17(2)35(46)49-5/h8,18,21,23-26,31,33,44,48H,6-7,9-15H2,1-5H3/b16-8+,29-17-/t18-,21-,23-,24+,25-,26+,31+,33+,37+,38+,39+,40+/m1/s1
InChIKey NCEFZVURTXZBJM-CLPLISGISA-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@]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 shizukaol B (CHEBI:69783) has role metabolite (CHEBI:25212)
shizukaol B (CHEBI:69783) is a triterpenoid (CHEBI:36615)
Synonym Source
Methyl (2Z)-2-[(1S,13E,18S,19S,21R,22S,23S,26S,28R,29S,30R,33R,36R)-18,30-dihydroxy-14,22,29-trimethyl-3,7,10,15,31-pentaoxo-2,6,11,16-tetraoxanonacyclo[16.15.3.1[25,29].0[1,2]3.0[4,34].0[19,21].0[22, 36].0[26,28].0[33,37]]heptatriaconta-4(34),13,25(37)-trien-32-ylidene]propanoate ChEBI
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:organooxygen compound(CHEBI:36963); HFP:tetracarboxylic acid(CHEBI:35742); ISA:macrolide(CHEBI:25106); ISA:cyclohexanones(CHEBI:23482); ISA:butenolide(CHEBI:50523); ISA:carboxylic ester(CHEBI:33308); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:tertiary alcohol(CHEBI:26878); ISA:enoate ester(CHEBI:51702); ISA:organic hydroxy compound(CHEBI:33822); ISA:lactone(CHEBI:25000); ISA:secondary alcohol(CHEBI:35681); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352);