EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:69135 - fijianolide A

ChEBI IDCHEBI:69135
ChEBI Namefijianolide A
Stars
DefinitionA natural product found in Cacospongia mycofijiensis.
Last Modified22 September 2014
DownloadsMolfile
FormulaC30H42O7
Net Charge0
Average Mass514.659
Monoisotopic Mass514.29305
SMILES[H][C@]12CC=C[C@@]([H])(C/C=C\C(=O)O[C@H]3C[C@@]([H])(O[C@H]3/C=C/[C@@H]3CC(C)=CCO3)[C@@H](O)[C@@H](O)CC(=C)C[C@H](C)C1)O2
InChIInChI=1S/C30H42O7/c1-19-12-13-34-23(15-19)10-11-26-27-18-28(36-26)30(33)25(31)17-21(3)14-20(2)16-24-8-4-6-22(35-24)7-5-9-29(32)37-27/h4-6,9-12,20,22-28,30-31,33H,3,7-8,13-18H2,1-2H3/b9-5-,11-10+/t20-,22-,23+,24-,25-,26-,27-,28+,30-/m0/s1
InChIKeyJNPMYSILHRFUPH-MVNLOBLJSA-N
Species of MetaboliteComponentSourceComments
Cacospongia mycofijiensis (ncbitaxon:1162744) - PubMed (22129061)
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)
fijianolide A (CHEBI:69135) has role metabolite (CHEBI:25212)
fijianolide A (CHEBI:69135) is a macrolide (CHEBI:25106)
Synonym  Source
(1R,3Z,7S,8S,10R,11S,12S,16S,18R)-11,12-Dihydroxy-16-methyl-8-{(E)-2-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]vinyl}-14-methylene-6,9,22-trioxatricyclo[16.3.1.17,10]tricosa-3,20-dien-5-oneChEBI
Citations