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CHEBI:68214 - Gemmacolide L, (rel)-

ChEBI IDCHEBI:68214
ChEBI NameGemmacolide L, (rel)-
Stars
DefinitionA natural product found in Dichotella gemmacea.
Last Modified22 September 2014
DownloadsMolfile
FormulaC38H51ClO16
Net Charge0
Average Mass799.263
Monoisotopic Mass798.28656
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)COC(=O)CC(C)C)[C@@]1(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(=O)CC(C)C)[C@]21CO1
InChIInChI=1S/C38H51ClO16/c1-17(2)13-25(43)48-15-27(45)53-24-12-11-19(5)28(39)31-38(47,20(6)35(46)55-31)34(52-23(9)42)30-36(24,10)32(51-22(8)41)29(50-21(7)40)33(37(30)16-49-37)54-26(44)14-18(3)4/h11-12,17-18,20,24,28-34,47H,5,13-16H2,1-4,6-10H3/b12-11-/t20-,24?,28-,29+,30+,31-,32-,33+,34-,36+,37-,38-/m0/s1
InChIKeyYISWRMKMJWQNKQ-ISCLDJKTSA-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 L, (rel)- (CHEBI:68214) has functional parent tetracarboxylic acid (CHEBI:35742)
Gemmacolide L, (rel)- (CHEBI:68214) has role metabolite (CHEBI:25212)
Gemmacolide L, (rel)- (CHEBI:68214) is a organooxygen compound (CHEBI:36963)
Citations