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CHEBI:219331 - Aquastatin C

ChEBI IDCHEBI:219331
ChEBI NameAquastatin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H48O9
Net Charge0
Average Mass540.694
Monoisotopic Mass540.32983
SMILESCCCCCCCCCCCCCCCc1cc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc(O)c1C(=O)OC
InChIInChI=1S/C29H48O9/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-21(18-22(31)24(20)28(35)36-2)37-29-27(34)26(33)25(32)23(19-30)38-29/h17-18,23,25-27,29-34H,3-16,19H2,1-2H3/t23-,25+,26+,27-,29-/m1/s1
InChIKeyIEOWNZSZBOOCHK-UIGAIOKKSA-N
Species of MetaboliteComponentSourceComments
Sporothrix (ncbitaxon:29907) - PubMed (21139622)
ChEBI Ontology
Outgoing Relation(s)
Aquastatin C (CHEBI:219331) is a glycoside (CHEBI:24400)
IUPAC Name 
methyl 2-hydroxy-6-pentadecyl-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
Manual XrefsDatabases
78441375ChemSpider