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CHEBI:69285 - suvanine's sodium salt

Default Structure
ChEBI IDCHEBI:69285
ChEBI Namesuvanine's sodium salt
Stars
DefinitionA natural product found in Coscinoderma species.
DownloadsMolfile
FormulaC25H37O5S.Na
Net Charge0
Average Mass472.623
Monoisotopic Mass472.22594
SMILES[H][C@]12CC/C(=C\OS(=O)(=O)[O-])[C@H](CCc3ccoc3)[C@@]1(C)CC[C@@]1([H])C(C)(C)CCC[C@]21C.[Na+]
InChIInChI=1S/C25H38O5S.Na/c1-23(2)12-5-13-25(4)21(23)10-14-24(3)20(8-6-18-11-15-29-16-18)19(7-9-22(24)25)17-30-31(26,27)28;/h11,15-17,20-22H,5-10,12-14H2,1-4H3,(H,26,27,28);/q;+1/p-1/b19-17+;/t20-,21-,22-,24+,25-;/m0./s1
InChIKeyLCLILMARVYROOR-VNINRLMRSA-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)
suvanine's sodium salt (CHEBI:69285) has role metabolite (CHEBI:25212)
suvanine's sodium salt (CHEBI:69285) is a organic molecular entity (CHEBI:50860)
Synonym  Source
Sodium (E)-[(8alpha,13E,14alpha)-14-{2-[(2S)-2-hydroxy-5-oxo-2,5-dihydro-3-furanyl]ethyl}-8-methylpodocarpan-13-ylidene]methyl sulfateChEBI
Citations