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CHEBI:69783 - shizukaol B

Default Structure
ChEBI IDCHEBI:69783
ChEBI Nameshizukaol B
Stars
DefinitionA natural product found in Chloranthus japonicus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC40H44O13
Net Charge0
Average Mass732.779
Monoisotopic Mass732.27819
SMILES[H][C@]12C[C@@]1([H])[C@@]1(C)[C@@]3([H])CC4=C(COC(=O)CCC(=O)OC/C=C(\C)C(=O)OC[C@]23O)C(=O)O[C@]42[C@@]1([H])CC1=C3[C@@](C)([C@@H](O)C(=O)/C(=C(/C)C(=O)OC)[C@@]32[H])[C@]2([H])C[C@]12[H]
InChIInChI=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
InChIKeyNCEFZVURTXZBJM-CLPLISGISA-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)
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]propanoateChEBI
Citations