CHEBI:68209 - Gemmacolide G, (rel)-

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ChEBI Name Gemmacolide G, (rel)-
ChEBI ID CHEBI:68209
Definition A natural product found in Dichotella gemmacea.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C30H37ClO14
Net Charge 0
Average Mass 657.05900
Monoisotopic Mass 656.18718
InChI InChI=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
InChIKey CMKNGEIJCJJGAQ-DFOHHMFPSA-N
SMILES [H][C@@]12OC(=O)[C@H](C)[C@@]1(O)[C@@H](OC(C)=O)[C@]1([H])[C@@](C)([C@@H](OC(C)=O)\C=C\C(=C)[C@@H]2Cl)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@]11CO1
Metabolite of Species Details
Dichotella gemmacea (NCBI:txid767270) Ethyl acetate soluble portion of combined extract of acetone and methanol of frozen specimen See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Gemmacolide G, (rel)- (CHEBI:68209) has role metabolite (CHEBI:25212)
Gemmacolide G, (rel)- (CHEBI:68209) is a γ-lactone (CHEBI:37581)
Citation Waiting for Citations Type Source
21721519 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:tertiary alcohol(CHEBI:26878); ISA:oxolanes(CHEBI:26912); ISA:carboxylic ester(CHEBI:33308); ISA:epoxide(CHEBI:32955); ISA:monocarboxylic acid(CHEBI:25384); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352); ISA:organochlorine compound(CHEBI:36683); ISA:carbonyl compound(CHEBI:36586);