CHEBI:67722 - Isofurospongin-4

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ChEBI Name Isofurospongin-4
ChEBI ID CHEBI:67722
Definition A natural product found in Spongia officinalis.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C26H36O5
Net Charge 0
Average Mass 428.56100
Monoisotopic Mass 428.25627
InChI InChI=1S/C26H36O5/c1-20(11-6-14-23-17-18-31-19-23)9-5-10-21(2)12-7-15-24(26(29)30-4)16-8-13-22(3)25(27)28/h10-11,13,15,17-19H,5-9,12,14,16H2,1-4H3,(H,27,28)/b20-11+,21-10+,22-13+,24-15-
InChIKey OAOUOCLVLBNQNV-STZPRAENSA-N
SMILES COC(=O)C(\CC\C=C(/C)C(O)=O)=C/CC\C(C)=C\CC\C(C)=C\CCc1ccoc1
Metabolite of Species Details
Spongia officinalis (NCBI:txid252964) Diethyl ether soluble portion of acetone extract of chopped, frozen sponge 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 Isofurospongin-4 (CHEBI:67722) has role metabolite (CHEBI:25212)
Isofurospongin-4 (CHEBI:67722) is a diterpenoid (CHEBI:23849)
Synonym Source
(2E,6Z,10E,14E)-17-(furan-3-yl)-6-methoxycarbonyl-2,10,14-trimethylheptadeca-2,6,10,14-tetraenoic acid ChEBI
Citation Waiting for Citations Type Source
21548580 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:fatty acid ester(CHEBI:35748); ISA:dicarboxylic acid(CHEBI:35692); ISA:furans(CHEBI:24129); ISA:carboxylic ester(CHEBI:33308); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enoate ester(CHEBI:51702); ISA:ether(CHEBI:25698); ISA:carboxylic acid(CHEBI:33575); ISA:organonitrogen compound(CHEBI:35352); ISA:carbonyl compound(CHEBI:36586);