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CHEBI:227766 - Cyclosulfoxicurvularin

ChEBI IDCHEBI:227766
ChEBI NameCyclosulfoxicurvularin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H22O9S
Net Charge0
Average Mass426.443
Monoisotopic Mass426.09845
SMILESC[C@H]1CCCC2C(C(=O)c3c(O)cc(O)cc3CC(=O)O1)C(O)(C(=O)O)CS2=O
InChIInChI=1S/C19H22O9S/c1-9-3-2-4-13-16(19(26,18(24)25)8-29(13)27)17(23)15-10(6-14(22)28-9)5-11(20)7-12(15)21/h5,7,9,13,16,20-21,26H,2-4,6,8H2,1H3,(H,24,25)/t9-,13?,16?,19?,29?/m0/s1
InChIKeyXBYWGNYCVAOWKJ-UKHBRHBRSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (27227682)
ChEBI Ontology
Outgoing Relation(s)
Cyclosulfoxicurvularin (CHEBI:227766) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(11S)-4,17,19-trihydroxy-11-methyl-2,6,13-trioxo-12-oxa-6lambda4-thiatricyclo[13.4.0.03,7]nonadeca-1(15),16,18-triene-4-carboxylic acid
Manual XrefsDatabases
58196979ChemSpider