CHEBI:69131 - fijianolide D

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ChEBI Name fijianolide D
ChEBI ID CHEBI:69131
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 C30H40O8
Net Charge 0
Average Mass 528.63380
Monoisotopic Mass 528.27232
InChI InChI=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
InChIKey CVVBJPYJIWDRMQ-FVRSRKCVSA-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)=CC(=O)O3)[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 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-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:pyranone(CHEBI:37963); ISA:dicarboxylic acid(CHEBI:35692); ISA:monosaccharide(CHEBI:35381); ISA:oxolanes(CHEBI:26912); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enoate ester(CHEBI:51702); ISA:lactone(CHEBI:25000); ISA:secondary alcohol(CHEBI:35681); ISA:polyol(CHEBI:26191); ISA:ether(CHEBI:25698); ISA:carbonyl compound(CHEBI:36586);