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CHEBI:68213 - Gemmacolide K, (rel)-

Default Structure
ChEBI IDCHEBI:68213
ChEBI NameGemmacolide K, (rel)-
Stars
DefinitionA natural product found in Dichotella gemmacea.
Last Modified22 September 2014
DownloadsMolfile
FormulaC33H43ClO15
Net Charge0
Average Mass715.145
Monoisotopic Mass714.22905
SMILES[H][C@@]12[C@H](OC(C)=O)[C@]3(O)[C@@H](C)C(=O)O[C@@]3([H])[C@@H](Cl)C(=C)/C=C\[C@H](OC(=O)CO)[C@@]1(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(=O)CC(C)C)[C@]21CO1
InChIInChI=1S/C33H43ClO15/c1-14(2)11-21(39)48-28-24(44-17(5)36)27(45-18(6)37)31(8)20(47-22(40)12-35)10-9-15(3)23(34)26-33(42,16(4)30(41)49-26)29(46-19(7)38)25(31)32(28)13-43-32/h9-10,14,16,20,23-29,35,42H,3,11-13H2,1-2,4-8H3/b10-9-/t16-,20-,23-,24+,25+,26-,27-,28+,29-,31+,32-,33-/m0/s1
InChIKeyJDAZPYNSXYPAGN-IGYAXIRDSA-N
Species of MetaboliteComponentSourceComments
Dichotella gemmacea (ncbitaxon:767270) - PubMed (21721519) Ethyl acetate soluble portion of combined extract of acetone and methanol of frozen specimen
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)
Gemmacolide K, (rel)- (CHEBI:68213) has role metabolite (CHEBI:25212)
Gemmacolide K, (rel)- (CHEBI:68213) is a carbonyl compound (CHEBI:36586)
Citations