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CHEBI:218883 - Chartarutine E

ChEBI IDCHEBI:218883
ChEBI NameChartarutine E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H31NO5
Net Charge0
Average Mass401.503
Monoisotopic Mass401.22022
SMILESC/C(=C/CCC1(C)C=Cc2c(cc3c(c2O)CNC3=O)O1)CCC(O)C(C)(C)O
InChIInChI=1S/C23H31NO5/c1-14(7-8-19(25)22(2,3)28)6-5-10-23(4)11-9-15-18(29-23)12-16-17(20(15)26)13-24-21(16)27/h6,9,11-12,19,25-26,28H,5,7-8,10,13H2,1-4H3,(H,24,27)/b14-6-
InChIKeyPDWIAPUTGYIPGU-NSIKDUERSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys chartarum (ncbitaxon:74722) - DOI (10.1016/j.tet.2014.07.047)
ChEBI Ontology
Outgoing Relation(s)
Chartarutine E (CHEBI:218883) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
2-[(Z)-7,8-dihydroxy-4,8-dimethylnon-3-enyl]-5-hydroxy-2-methyl-6,7-dihydropyrano[3,2-]isoindol-8-one
Manual XrefsDatabases
78435154ChemSpider