CHEBI:69135 - fijianolide A

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ChEBI Name fijianolide A
ChEBI ID CHEBI:69135
Definition A natural product found in Cacospongia mycofijiensis.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C30H42O7
Net Charge 0
Average Mass 514.65030
Monoisotopic Mass 514.29305
InChI InChI=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
InChIKey JNPMYSILHRFUPH-MVNLOBLJSA-N
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
Metabolite of Species Details
Cacospongia mycofijiensis (NCBI:txid1162744) See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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-one ChEBI
Citation Waiting for Citations Type Source
22129061 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:monosaccharide(CHEBI:35381); ISA:pyrans(CHEBI:26407); ISA:enoate ester(CHEBI:51702); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:oxolanes(CHEBI:26912); ISA:secondary alcohol(CHEBI:35681); ISA:lactone(CHEBI:25000); ISA:polyol(CHEBI:26191); ISA:ether(CHEBI:25698); ISA:monocarboxylic acid(CHEBI:25384); ISA:carbonyl compound(CHEBI:36586);