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CHEBI:201437 - Sonolisib

ChEBI IDCHEBI:201437
ChEBI NameSonolisib
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H35NO8
Net Charge0
Average Mass525.598
Monoisotopic Mass525.23627
SMILESC=CCN(C=C1C(=O)OC(COC)C2(C)C1=C(O)C(=O)C1=C2C(OC(C)=O)CC2(C)C(=O)CCC12)CC=C
InChIInChI=1S/C29H35NO8/c1-7-11-30(12-8-2)14-17-23-26(34)25(33)22-18-9-10-20(32)28(18,4)13-19(37-16(3)31)24(22)29(23,5)21(15-36-6)38-27(17)35/h7-8,14,18-19,21,34H,1-2,9-13,15H2,3-6H3
InChIKeyQIUASFSNWYMDFS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Sonolisib (CHEBI:201437) is a steroid lactone (CHEBI:26766)
IUPAC Name 
[(3aS,6E,9R,9aS,10R,11aR)-6-[[bis(prop-2-enyl)amino]methylidene]-5-hydroxy-9-(methoxymethyl)-9a,11a-dimethyl-1,4,7-trioxo-2,3,3a,9,10,11-hexahydroindeno[4,5-h]isochromen-10-yl] acetate
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54868805ChemSpider