ChEBI

CHEBI:69286 - sodium(E)-((1R,4aS,4bS,8aS,10aS)-1-(2-((S)-2-hydroxy-5-oxo-2,5-dihydrofuran-3-yl)ethyl)-4b,8,8,10a-tetramethyldecahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate

ChEBI Name sodium(E)-((1R,4aS,4bS,8aS,10aS)-1-(2-((S)-2-hydroxy-5-oxo-2,5-dihydrofuran-3-yl)ethyl)-4b,8,8,10a-tetramethyldecahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate ChEBI ID CHEBI:69286 Definition A natural product found in Coscinoderma species. Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C25H37NaO7S Net Charge 0 Average Mass 504.61200 Monoisotopic Mass 504.21577 InChI InChI=1S/C25H38O7S.Na/c1-23(2)11-5-12-25(4)19(23)10-13-24(3)18(8-6-16-14-21(26)32-22(16)27)17(7-9-20(24)25)15-31-33(28,29)30;/h14-15,18-20,22,27H,5-13H2,1-4H3,(H,28,29,30);/q;+1/p-1/b17-15+;/t18-,19-,20-,22-,24+,25-;/m0./s1 InChIKey MSWLPMNAMZJYJW-CGSXWFLESA-M SMILES [Na+].[H][C@@]12CC[C@]3(C)[C@@H](CCC4=CC(=O)O[C@@H]4O)\C(CC[C@]3([H])[C@@]1(C)CCCC2(C)C)=C\OS([O-])(=O)=O Metabolite of Species Details Coscinoderma (NCBI:txid1162776) Methanol and methylene dichloride extract of lyophilized and macerated 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. (via sodium(E)-((1R,4aS,4bS,8aS,10aS)-1-(2-((S)-2-hydroxy-5-oxo-2,5-dihydrofuran-3-yl)ethyl)-4b,8,8,10a-tetramethyldecahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate ) View more via ChEBI Ontology ChEBI Ontology Outgoing sodium(E)-((1R,4aS,4bS,8aS,10aS)-1-(2-((S)-2-hydroxy-5-oxo-2,5-dihydrofuran-3-yl)ethyl)-4b,8,8,10a-tetramethyldecahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate (CHEBI:69286) has role metabolite (CHEBI:25212) sodium(E)-((1R,4aS,4bS,8aS,10aS)-1-(2-((S)-2-hydroxy-5-oxo-2,5-dihydrofuran-3-yl)ethyl)-4b,8,8,10a-tetramethyldecahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate (CHEBI:69286) is a organic molecular entity (CHEBI:50860) Citation Type Source 21827183 PubMed citation Europe PMC