Stemphyltoxin III (CHEBI:199073)

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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	Stemphyltoxin III

ChEBI ID	CHEBI:199073

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H12O6

Net Charge

Average Mass

348.310

Monoisotopic Mass

348.06339

InChI

InChI=1S/C20H12O6/c21-9-4-2-8-7-1-3-10(22)14-12(7)16(18-19(26-18)17(14)24)20(25)6-5-11(23)13(9)15(8)20/h1-6,16,18-19,21-22,25H/t16-,18+,19-,20-/m0/s1

InChIKey

OXZKROMWFXHLSV-RNQOJCNYSA-N

SMILES

O=C1C2=C(O)C=CC3=C2[C@](O)([C@@H]4[C@H]5O[C@H]5C(C=6C4=C3C=CC6O)=O)C=C1

Metabolite of Species	Details
Stemphylium (NCBI:txid95729)	See: DOI

ChEBI Ontology
Outgoing	Stemphyltoxin III (CHEBI:199073) is a naphthalenone (CHEBI:25479)

IUPAC Name

(10R,11S,12R,14R)-5,10,17-trihydroxy-13-oxahexacyclo[9.8.1.12,6.012,14.016,20.010,21]henicosa-1(20),2(21),3,5,8,16,18-heptaene-7,15-dione