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CHEBI:68217 - Junceellolide C, (+)-, (rel)-

ChEBI IDCHEBI:68217
ChEBI NameJunceellolide C, (+)-, (rel)-
Stars
DefinitionA natural product found in Dichotella gemmacea and Junceella fragilis.
Last Modified22 September 2014
DownloadsMolfile
FormulaC26H33ClO10
Net Charge0
Average Mass540.993
Monoisotopic Mass540.17622
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)CC[C@]21CO1
InChIInChI=1S/C26H33ClO10/c1-12-7-8-17(34-14(3)28)24(6)18(35-15(4)29)9-10-25(11-33-25)20(24)22(36-16(5)30)26(32)13(2)23(31)37-21(26)19(12)27/h7-8,13,17-22,32H,1,9-11H2,2-6H3/b8-7+/t13-,17-,18-,19-,20+,21-,22-,24-,25-,26-/m0/s1
InChIKeyGTHKEJRKRGQZPU-DTAVAUEMSA-N
Species of MetaboliteComponentSourceComments
Junceella fragilis (ncbitaxon:98366) - PubMed (21721519)
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)
Junceellolide C, (+)-, (rel)- (CHEBI:68217) has role metabolite (CHEBI:25212)
Junceellolide C, (+)-, (rel)- (CHEBI:68217) is a γ-lactone (CHEBI:37581)
Citations