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CHEBI:197896 - Saponaroxin C

ChEBI IDCHEBI:197896
ChEBI NameSaponaroxin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24O9
Net Charge0
Average Mass396.392
Monoisotopic Mass396.14203
SMILESCOC1(C)C(=O)C(O)(C=O)C(C)=C2C(=O)CCC(=O)OC(C)C(O)C3OC3C21
InChIInChI=1S/C19H24O9/c1-8-12-10(21)5-6-11(22)27-9(2)14(23)16-15(28-16)13(12)18(3,26-4)17(24)19(8,25)7-20/h7,9,13-16,23,25H,5-6H2,1-4H3
InChIKeyPUDDCSCFKUJQIZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Alternaria saponariae (ncbitaxon:1342367) - DOI (10.1016/j.tetlet.2016.03.015)
ChEBI Ontology
Outgoing Relation(s)
Saponaroxin C (CHEBI:197896) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
5,14-dihydroxy-16-methoxy-6,13,16-trimethyl-8,11,15-trioxo-3,7-dioxatricyclo[10.4.0.02,4]hexadec-12-ene-14-carbaldehyde
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78443864ChemSpider