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CHEBI:221883 - Chartarutine D

ChEBI IDCHEBI:221883
ChEBI NameChartarutine D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H32N2O5S
Net Charge0
Average Mass448.585
Monoisotopic Mass448.20319
SMILESCC(C)=CCCC(C)=CCCC(C)=CCc1c(O)cc2c(c1OS(=O)(=O)O)CN=C2N
InChIInChI=1S/C23H32N2O5S/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-18-21(26)13-19-20(14-25-23(19)24)22(18)30-31(27,28)29/h7,9,11,13,26H,5-6,8,10,12,14H2,1-4H3,(H2,24,25)(H,27,28,29)
InChIKeyZJFAMUUSIOWHLE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys chartarum (ncbitaxon:74722) - DOI (10.1016/j.tet.2014.07.047)
ChEBI Ontology
Outgoing Relation(s)
Chartarutine D (CHEBI:221883) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[1-amino-6-hydroxy-5-(3,7,11-trimethyldodeca-2,6,10-trienyl)-3H-isoindol-4-yl] hydrogen sulate
Manual XrefsDatabases
78435034ChemSpider