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CHEBI:69290 - sodium(E)-((1R,4aS,4bS,8aS,10aS)-1-(2-((2S,5R)-2,5-dimethoxy-2,5-dihydrofuran-3-yl)ethyl)-4b,8,8,10a-tetramethyldecahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate

Default Structure
ChEBI IDCHEBI:69290
ChEBI Namesodium(E)-((1R,4aS,4bS,8aS,10aS)-1-(2-((2S,5R)-2,5-dimethoxy-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
FormulaC27H43O7S.Na
Net Charge0
Average Mass534.691
Monoisotopic Mass534.26272
SMILES[H][C@]12CC/C(=C\OS(=O)(=O)[O-])[C@H](CCC3=C[C@H](OC)O[C@@H]3OC)[C@@]1(C)CC[C@@]1([H])C(C)(C)CCC[C@]21C.[Na+]
InChIInChI=1S/C27H44O7S.Na/c1-25(2)13-7-14-27(4)21(25)12-15-26(3)20(10-8-18-16-23(31-5)34-24(18)32-6)19(9-11-22(26)27)17-33-35(28,29)30;/h16-17,20-24H,7-15H2,1-6H3,(H,28,29,30);/q;+1/p-1/b19-17+;/t20-,21-,22-,23+,24-,26+,27-;/m0./s1
InChIKeyKATFIEDZWYBENH-IBBDOYIQSA-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-((2S,5R)-2,5-dimethoxy-2,5-dihydrofuran-3-yl)ethyl)-4b,8,8,10a-tetramethyldecahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate (CHEBI:69290) has role metabolite (CHEBI:25212)
sodium(E)-((1R,4aS,4bS,8aS,10aS)-1-(2-((2S,5R)-2,5-dimethoxy-2,5-dihydrofuran-3-yl)ethyl)-4b,8,8,10a-tetramethyldecahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate (CHEBI:69290) is a organic molecular entity (CHEBI:50860)
Citations