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CHEBI:218867 - Chartarutine A

ChEBI IDCHEBI:218867
ChEBI NameChartarutine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H33NO5
Net Charge0
Average Mass403.519
Monoisotopic Mass403.23587
SMILESC/C(=C/Cc1c(O)cc2c(c1O)CNC2=O)CC/C=C(/C)CC[C@H](O)C(C)(C)O
InChIInChI=1S/C23H33NO5/c1-14(6-5-7-15(2)9-11-20(26)23(3,4)29)8-10-16-19(25)12-17-18(21(16)27)13-24-22(17)28/h7-8,12,20,25-27,29H,5-6,9-11,13H2,1-4H3,(H,24,28)/b14-8-,15-7-/t20-/m0/s1
InChIKeyCBPVPTUUJSJVNN-VIMPTAQVSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys chartarum (ncbitaxon:74722) - DOI (10.1016/j.tet.2014.07.047)
ChEBI Ontology
Outgoing Relation(s)
Chartarutine A (CHEBI:218867) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
5-[(2Z,6Z)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienyl]-4,6-dihydroxy-2,3-dihydroisoindol-1-one
Manual XrefsDatabases
78435151ChemSpider