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CHEBI:175863 - 11-Dihydro-12-norneoquassin

ChEBI IDCHEBI:175863
ChEBI Name11-Dihydro-12-norneoquassin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O6
Net Charge0
Average Mass378.465
Monoisotopic Mass378.20424
SMILESCOC1=CC(C)C2CC3OC(O)CC4C(C)C(=O)C(O)C(C2(C)C1=O)C34C
InChIInChI=1S/C21H30O6/c1-9-6-13(26-5)19(25)21(4)11(9)7-14-20(3)12(8-15(22)27-14)10(2)16(23)17(24)18(20)21/h6,9-12,14-15,17-18,22,24H,7-8H2,1-5H3
InChIKeyZXEXAUWPQPJYJZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
11-Dihydro-12-norneoquassin (CHEBI:175863) is a quassinoid (CHEBI:72485)
IUPAC Name 
11,16-dihydroxy-4-methoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-ene-3,15-dione
Manual XrefsDatabases
HMDB0036889HMDB
432915ChemSpider