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CHEBI:226514 - Saponaroxin B

ChEBI IDCHEBI:226514
ChEBI NameSaponaroxin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H22O9
Net Charge0
Average Mass394.376
Monoisotopic Mass394.12638
SMILESCOC1(C)C(=O)C(O)(C=O)C(C)=C2C(=O)/C=C\C(=O)OC(C)C(O)C3OC3C21
InChIInChI=1S/C19H22O9/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/h5-7,9,13-16,23,25H,1-4H3/b6-5-
InChIKeyFUDHTBJIPBKNHA-WAYWQWQTSA-N
Species of MetaboliteComponentSourceComments
Alternaria saponariae (ncbitaxon:1342367) - DOI (10.1016/j.tetlet.2016.03.015)
ChEBI Ontology
Outgoing Relation(s)
Saponaroxin B (CHEBI:226514) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(9Z)-5,14-dihydroxy-16-methoxy-6,13,16-trimethyl-8,11,15-trioxo-3,7-dioxatricyclo[10.4.0.02,4]hexadeca-9,12-diene-14-carbaldehyde
Manual XrefsDatabases
78444239ChemSpider