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CHEBI:69131 - fijianolide D

ChEBI IDCHEBI:69131
ChEBI Namefijianolide D
Stars
DefinitionA natural product found in Cacospongia mycofijiensis.
Last Modified22 September 2014
DownloadsMolfile
FormulaC30H40O8
Net Charge0
Average Mass528.642
Monoisotopic Mass528.27232
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)=CC(=O)O3)[C@@H](O)[C@@H](O)CC(=C)C[C@H](C)C1)O2
InChIInChI=1S/C30H40O8/c1-18-12-19(2)15-24(31)30(34)27-17-26(25(37-27)11-10-23-14-20(3)16-29(33)36-23)38-28(32)9-5-7-21-6-4-8-22(13-18)35-21/h4-6,9-11,16,18,21-27,30-31,34H,2,7-8,12-15,17H2,1,3H3/b9-5-,11-10+/t18-,21-,22-,23+,24-,25-,26-,27+,30-/m0/s1
InChIKeyCVVBJPYJIWDRMQ-FVRSRKCVSA-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 D (CHEBI:69131) has role metabolite (CHEBI:25212)
fijianolide D (CHEBI:69131) is a macrolide (CHEBI:25106)
Synonym  Source
(1R,3Z,7S,8S,10R,11S,12S,16S,18R)-11,12-Dihydroxy-16-methyl-14-methylene-8-{(E)-2-[(2S)-4-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]vinyl}-6,9,22-trioxatricyclo[16.3.1.17,10]tricosa-3,20-dien-5-oneChEBI
Citations