Xylaolide A (CHEBI:216778)

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ChEBI Ontology

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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	Xylaolide A

ChEBI ID	CHEBI:216778

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H16O4

Net Charge

Average Mass

224.256

Monoisotopic Mass

224.10486

InChI

InChI=1S/C12H16O4/c1-2-7-3-4-10(14)9-5-8(6-13)12(15)16-11(7)9/h5,7,11,13-14H,2-4,6H2,1H3/t7-,11?/m0/s1

InChIKey

KPDHBJMYFIFZIJ-RGENBBCFSA-N

SMILES

O=C1OC2C(=C(O)CC[C@@H]2CC)C=C1CO

ChEBI Ontology
Outgoing	Xylaolide A (CHEBI:216778) is a pyranone (CHEBI:37963)

IUPAC Name

(8S)-8-ethyl-5-hydroxy-3-(hydroxymethyl)-6,7,8,8a-tetrahydrochromen-2-one