Aspersclerotiorone C (CHEBI:214738)

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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	Aspersclerotiorone C

ChEBI ID	CHEBI:214738

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H18O6

Net Charge

Average Mass

282.292

Monoisotopic Mass

282.11034

InChI

InChI=1S/C14H18O6/c1-7-8-6-11(2)12(3,18-8)13(7,16)20-14(11)9(17-4)5-10(15)19-14/h5,7-8,16H,6H2,1-4H3/t7-,8+,11+,12-,13-,14+/m1/s1

InChIKey

NELMFCIXSYFKGN-NZXXFSKESA-N

SMILES

O=C1O[C@]2(O[C@]3(O)[C@H](C)[C@@H]4C[C@]2([C@]3(O4)C)C)C(=C1)OC

Metabolite of Species	Details
Aspergillus (NCBI:txid5052)	See: PubMed

ChEBI Ontology
Outgoing	Aspersclerotiorone C (CHEBI:214738) is a furofuran (CHEBI:47790)

IUPAC Name

(1S,2R,3R,5S,6S,7R)-3-hydroxy-4'-methoxy-2,6,7-trimethylspiro[4,8-dioxatricyclo[4.2.1.03,7]nonane-5,5'-uran]-2'-one