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CHEBI:68209 - Gemmacolide G, (rel)-

ChEBI IDCHEBI:68209
ChEBI NameGemmacolide G, (rel)-
Stars
DefinitionA natural product found in Dichotella gemmacea.
Last Modified22 September 2014
DownloadsMolfile
FormulaC30H37ClO14
Net Charge0
Average Mass657.065
Monoisotopic Mass656.18718
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(C)=O)[C@@]1(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@]21CO1
InChIInChI=1S/C30H37ClO14/c1-12-9-10-19(40-14(3)32)28(8)22(26(44-18(7)36)30(38)13(2)27(37)45-23(30)20(12)31)29(11-39-29)25(43-17(6)35)21(41-15(4)33)24(28)42-16(5)34/h9-10,13,19-26,38H,1,11H2,2-8H3/b10-9+/t13-,19-,20-,21+,22+,23-,24-,25+,26-,28+,29-,30-/m0/s1
InChIKeyCMKNGEIJCJJGAQ-DFOHHMFPSA-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 G, (rel)- (CHEBI:68209) has role metabolite (CHEBI:25212)
Gemmacolide G, (rel)- (CHEBI:68209) is a γ-lactone (CHEBI:37581)
Citations