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CHEBI:69289 - sodium(E)-((1R,4aS,4bS,8aS,10aS)-1-(2-((R)-5-methoxy-2-oxo-2,5-dihydrofuran-3-yl)ethyl)-4b,8,8,10a-tetramethyldecahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate

Default Structure
ChEBI IDCHEBI:69289
ChEBI Namesodium(E)-((1R,4aS,4bS,8aS,10aS)-1-(2-((R)-5-methoxy-2-oxo-2,5-dihydrofuran-3-yl)ethyl)-4b,8,8,10a-tetramethyldecahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate
Stars
DefinitionA natural product found in Coscinoderma species.
DownloadsMolfile
FormulaC26H39O7S.Na
Net Charge0
Average Mass518.648
Monoisotopic Mass518.23142
SMILES[H][C@]12CC/C(=C\OS(=O)(=O)[O-])[C@H](CCC3=C[C@H](OC)OC3=O)[C@@]1(C)CC[C@@]1([H])C(C)(C)CCC[C@]21C.[Na+]
InChIInChI=1S/C26H40O7S.Na/c1-24(2)12-6-13-26(4)20(24)11-14-25(3)19(9-7-17-15-22(31-5)33-23(17)27)18(8-10-21(25)26)16-32-34(28,29)30;/h15-16,19-22H,6-14H2,1-5H3,(H,28,29,30);/q;+1/p-1/b18-16+;/t19-,20-,21-,22+,25+,26-;/m0./s1
InChIKeyAANADYPLGVVCHK-WAHTZHGESA-M
Species of MetaboliteComponentSourceComments
Coscinoderma (ncbitaxon:1162776) - PubMed (21827183) Methanol and methylene dichloride extract of lyophilized and macerated sponge
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)
sodium(E)-((1R,4aS,4bS,8aS,10aS)-1-(2-((R)-5-methoxy-2-oxo-2,5-dihydrofuran-3-yl)ethyl)-4b,8,8,10a-tetramethyldecahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate (CHEBI:69289) has role metabolite (CHEBI:25212)
sodium(E)-((1R,4aS,4bS,8aS,10aS)-1-(2-((R)-5-methoxy-2-oxo-2,5-dihydrofuran-3-yl)ethyl)-4b,8,8,10a-tetramethyldecahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate (CHEBI:69289) is a organic molecular entity (CHEBI:50860)
Citations