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CHEBI:69789 - chlorahololide B

Default Structure
ChEBI IDCHEBI:69789
ChEBI Namechlorahololide B
Stars
DefinitionA natural product found in Chloranthus japonicus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC39H40O14
Net Charge0
Average Mass732.735
Monoisotopic Mass732.24181
SMILES[H][C@@]12C[C@]1([H])[C@@]1(O)C[C@]3([H])[C@]4(OC(=O)C5=C4CC4[C@]3(C)[C@]3([H])C[C@]3([H])[C@@]4(O)COC(=O)/C=C(\C)COC(=O)CCC(=O)OC5)C3=C1[C@@]2(C)C(=O)[C@@]1(O)OC(=O)C(C)=C31
InChIInChI=1S/C39H40O14/c1-15-7-27(42)51-14-37(47)22-8-19(22)34(3)23(37)10-18-17(13-50-26(41)6-5-25(40)49-12-15)32(44)52-38(18)24(34)11-36(46)21-9-20(21)35(4)30(36)29(38)28-16(2)31(43)53-39(28,48)33(35)45/h7,19-24,46-48H,5-6,8-14H2,1-4H3/b15-7+/t19-,20-,21+,22+,23?,24+,34+,35+,36+,37+,38+,39+/m1/s1
InChIKeyKSKYQRVGRNHBRL-ZXLWUQOCSA-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)
chlorahololide B (CHEBI:69789) has role metabolite (CHEBI:25212)
chlorahololide B (CHEBI:69789) is a triterpenoid (CHEBI:36615)
Synonym  Source
(1S,2S,4S,5S,7R,8S,10S,16R,28E,33S,34S,36S,37R)-4,10,33-Trihydroxy-1,8,13,28-tetramethyl-11,17,21,26,31-pentaoxadecacyclo[17.17.3.1[4,8].0[2,16].0[5,7].0[10,14].0[15,40].0[16,39].0[33,37].0[34,36]]tet raconta-13,15(40),19(39),28-tetraene-9,12,18,22,25,30-hexoneChEBI
Citations