5,6-Isopropylidene-L-ascorbic acid (CHEBI:229989)

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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	5,6-Isopropylidene-L-ascorbic acid

ChEBI ID	CHEBI:229989

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C9H12O6

Net Charge

Average Mass

216.189

Monoisotopic Mass

216.06339

InChI

InChI=1S/C9H12O6/c1-9(2)13-3-4(15-9)7-5(10)6(11)8(12)14-7/h4,7,10-11H,3H2,1-2H3/t4-,7+/m0/s1

InChIKey

POXUQBFHDHCZAD-MHTLYPKNSA-N

SMILES

O1[C@]([C@]2(OC(=O)C(O)=C2O)[H])(COC1(C)C)[H]

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in feces (BTO:0000440). See: MetaboLights Study

ChEBI Ontology
Outgoing	5,6-Isopropylidene-L-ascorbic acid (CHEBI:229989) is a ketal (CHEBI:59777)

IUPAC Name

(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2H-uran-5-one