Papyracillic acid methyl Acetal (CHEBI:225296)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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	Papyracillic acid methyl Acetal

ChEBI ID	CHEBI:225296

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H16O5

Net Charge

Average Mass

240.255

Monoisotopic Mass

240.09977

InChI

InChI=1S/C12H16O5/c1-7-8(2)12(17-11(7,3)15-5)9(14-4)6-10(13)16-12/h6-7H,2H2,1,3-5H3/t7-,11+,12+/m0/s1

InChIKey

KXOFTNMGLNQQNY-UPZJHPNMSA-N

SMILES

O=C1O[C@]2(O[C@](OC)(C)[C@H](C2=C)C)C(=C1)OC

Metabolite of Species	Details
Microsphaeropsis (NCBI:txid107453)	See: DOI

ChEBI Ontology
Outgoing	Papyracillic acid methyl Acetal (CHEBI:225296) is a ketal (CHEBI:59777)

IUPAC Name

(2R,3S,5S)-2,9-dimethoxy-2,3-dimethyl-4-methylidene-1,6-dioxaspiro[4.4]non-8-en-7-one