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CHEBI:69787 - shizukaol H

Default Structure
ChEBI IDCHEBI:69787
ChEBI Nameshizukaol H
Stars
DefinitionA natural product found in Chloranthus japonicus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC40H44O14
Net Charge0
Average Mass748.778
Monoisotopic Mass748.27311
SMILES[H][C@]12C[C@@]1([H])[C@@]1(C)[C@@]3([H])CC4=C(COC(=O)C[C@H](O)C(=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/C40H44O14/c1-15-6-27(42)53-14-39(49)23-9-22(23)37(3)25(39)10-21-19(13-51-28(43)11-24(41)36(48)52-12-15)35(47)54-40(21)26(37)8-18-17-7-20(17)38(4)30(18)31(40)29(32(44)33(38)45)16(2)34(46)50-5/h6,17,20,22-26,31,33,41,45,49H,7-14H2,1-5H3/b15-6+,29-16-/t17-,20-,22-,23+,24+,25-,26+,31+,33+,37+,38+,39+,40+/m1/s1
InChIKeyPHCXHKSHMYZRPK-WPCIVLODSA-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 H (CHEBI:69787) has role metabolite (CHEBI:25212)
shizukaol H (CHEBI:69787) is a triterpenoid (CHEBI:36615)
Synonym  Source
Methyl (2Z)-2-[(1S,9S,13E,18S,19S,21R,22S,23S,26S,28R,29S,30R,33R,36R)-9,18,30-trihydroxy-13,22,29-trimethyl-3,7,10,15,31-pentaoxo-2,6,11,16-tetraoxanonacyclo[16.15.3.1[25,29].0[1,23].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