3R,5S-Sonnerlactone (CHEBI:217280)

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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	3R,5S-Sonnerlactone

ChEBI ID	CHEBI:217280

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H18O5

Net Charge

Average Mass

266.293

Monoisotopic Mass

266.11542

InChI

InChI=1S/C14H18O5/c1-8-5-10(15)4-2-3-9-6-11(16)7-12(17)13(9)14(18)19-8/h6-8,10,15-17H,2-5H2,1H3/t8-,10+/m1/s1

InChIKey

MQAGIKOTEWULFX-SCZZXKLOSA-N

SMILES

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

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	3R,5S-Sonnerlactone (CHEBI:217280) is a hydroxybenzoic acid (CHEBI:24676)

IUPAC Name

(3R,5S)-5,10,12-trihydroxy-3-methyl-3,4,5,6,7,8-hexahydro-2-benzoxecin-1-one