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CHEBI:69287 - sodium(E)-((1R,4aS,4bS,8aS,10aS)-4b,8,8,10a-tetramethyl-1-(2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl)decahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate

Default Structure
ChEBI IDCHEBI:69287
ChEBI Namesodium(E)-((1R,4aS,4bS,8aS,10aS)-4b,8,8,10a-tetramethyl-1-(2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl)decahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate
Stars
DefinitionA natural product found in Coscinoderma species.
DownloadsMolfile
FormulaC25H37O6S.Na
Net Charge0
Average Mass488.622
Monoisotopic Mass488.22085
SMILES[H][C@]12CC/C(=C\OS(=O)(=O)[O-])[C@H](CCC3=CC(=O)OC3)[C@@]1(C)CC[C@@]1([H])C(C)(C)CCC[C@]21C.[Na+]
InChIInChI=1S/C25H38O6S.Na/c1-23(2)11-5-12-25(4)20(23)10-13-24(3)19(8-6-17-14-22(26)30-15-17)18(7-9-21(24)25)16-31-32(27,28)29;/h14,16,19-21H,5-13,15H2,1-4H3,(H,27,28,29);/q;+1/p-1/b18-16+;/t19-,20-,21-,24+,25-;/m0./s1
InChIKeyNNXRQZJLAXDULG-NAVIIXIYSA-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)-4b,8,8,10a-tetramethyl-1-(2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl)decahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate (CHEBI:69287) has role metabolite (CHEBI:25212)
sodium(E)-((1R,4aS,4bS,8aS,10aS)-4b,8,8,10a-tetramethyl-1-(2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl)decahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate (CHEBI:69287) is a organic molecular entity (CHEBI:50860)
Citations