Saponaroxin C (CHEBI:197896)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Saponaroxin C

ChEBI ID	CHEBI:197896

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C19H24O9

Net Charge

Average Mass

396.392

Monoisotopic Mass

396.14203

InChI

InChI=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

InChIKey

PUDDCSCFKUJQIZ-UHFFFAOYSA-N

SMILES

O=C1OC(C(O)C2OC2C3C(C(CC1)=O)=C(C(O)(C(=O)C3(OC)C)C=O)C)C

Metabolite of Species	Details
Alternaria saponariae (NCBI:txid1342367)	See: DOI

ChEBI Ontology
Outgoing	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