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CHEBI:218879 - Chartarutine C

ChEBI IDCHEBI:218879
ChEBI NameChartarutine C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H31NO6S
Net Charge0
Average Mass449.569
Monoisotopic Mass449.18721
SMILESCC(C)=CCC/C(C)=C\CC/C(C)=C\Cc1c(O)cc2c(c1OS(=O)(=O)O)CNC2=O
InChIInChI=1S/C23H31NO6S/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-18-21(25)13-19-20(14-24-23(19)26)22(18)30-31(27,28)29/h7,9,11,13,25H,5-6,8,10,12,14H2,1-4H3,(H,24,26)(H,27,28,29)/b16-9-,17-11-
InChIKeyPLHZJNAKOHBVNR-GESPRJTDSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys chartarum (ncbitaxon:74722) - DOI (10.1016/j.tet.2014.07.047)
ChEBI Ontology
Outgoing Relation(s)
Chartarutine C (CHEBI:218879) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[6-hydroxy-1-oxo-5-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]-2,3-dihydroisoindol-4-yl] hydrogen sulate
Manual XrefsDatabases
78435153ChemSpider