EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:68215 - Gemmacolide M, (rel)-

ChEBI IDCHEBI:68215
ChEBI NameGemmacolide M, (rel)-
Stars
DefinitionA natural product found in Dichotella gemmacea.
Last Modified22 September 2014
DownloadsMolfile
FormulaC34H46O15
Net Charge0
Average Mass694.727
Monoisotopic Mass694.28367
SMILES[H][C@@]12[C@H](OC(C)=O)[C@]3(O)[C@@H](C)C(=O)O[C@@]3([H])[C@H](OC)C(=C)/C=C\[C@@H](OC(C)=O)[C@@]1(C)[C@@H](OC(=O)CC(C)C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@]21CO1
InChIInChI=1S/C34H46O15/c1-15(2)13-23(39)48-27-25(45-19(6)36)28(46-20(7)37)33(14-43-33)26-30(47-21(8)38)34(41)17(4)31(40)49-29(34)24(42-10)16(3)11-12-22(32(26,27)9)44-18(5)35/h11-12,15,17,22,24-30,41H,3,13-14H2,1-2,4-10H3/b12-11-/t17-,22?,24+,25+,26+,27-,28+,29-,30-,32+,33-,34-/m0/s1
InChIKeyNPDWRKAPYWUGGC-KTEJYYAWSA-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 M, (rel)- (CHEBI:68215) has role metabolite (CHEBI:25212)
Gemmacolide M, (rel)- (CHEBI:68215) is a fatty acid ester (CHEBI:35748)
Manual XrefsDatabases
27022370ChemSpider
Citations