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CHEBI:69291 - sodium(E)-((1R,4aS,4bS,8aS,10aS)-1-(2-((2S,3S,4R,5R)-3,4-dihydroxy-2,5-dimethoxytetrahydrofuran-3-yl)ethyl)-4b,8,8,10a-tetramethyldecahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate

Default Structure
ChEBI IDCHEBI:69291
ChEBI Namesodium(E)-((1R,4aS,4bS,8aS,10aS)-1-(2-((2S,3S,4R,5R)-3,4-dihydroxy-2,5-dimethoxytetrahydrofuran-3-yl)ethyl)-4b,8,8,10a-tetramethyldecahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate
Stars
DefinitionA natural product found in Coscinoderma species.
DownloadsMolfile
FormulaC27H45O9S.Na
Net Charge0
Average Mass568.705
Monoisotopic Mass568.26820
SMILES[H][C@]12CC/C(=C\OS(=O)(=O)[O-])[C@H](CC[C@@]3(O)[C@@H](OC)O[C@@H](OC)[C@@H]3O)[C@@]1(C)CC[C@@]1([H])C(C)(C)CCC[C@]21C.[Na+]
InChIInChI=1S/C27H46O9S.Na/c1-24(2)12-7-13-26(4)19(24)11-14-25(3)18(17(8-9-20(25)26)16-35-37(30,31)32)10-15-27(29)21(28)22(33-5)36-23(27)34-6;/h16,18-23,28-29H,7-15H2,1-6H3,(H,30,31,32);/q;+1/p-1/b17-16+;/t18-,19-,20-,21-,22+,23-,25+,26-,27-;/m0./s1
InChIKeyGFJVVNHKRRGZOW-PNSHEXGWSA-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,3S,4R,5R)-3,4-dihydroxy-2,5-dimethoxytetrahydrofuran-3-yl)ethyl)-4b,8,8,10a-tetramethyldecahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate (CHEBI:69291) has role metabolite (CHEBI:25212)
sodium(E)-((1R,4aS,4bS,8aS,10aS)-1-(2-((2S,3S,4R,5R)-3,4-dihydroxy-2,5-dimethoxytetrahydrofuran-3-yl)ethyl)-4b,8,8,10a-tetramethyldecahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate (CHEBI:69291) is a organic molecular entity (CHEBI:50860)
Citations