Vaccinol F (CHEBI:206919)

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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	Vaccinol F

ChEBI ID	CHEBI:206919

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H22O5

Net Charge

Average Mass

306.358

Monoisotopic Mass

306.14672

InChI

InChI=1S/C17H22O5/c1-9(2)4-5-11-6-7-12(19)16-15(11)13(20)8-14(10(3)18)22-17(16)21/h4,6-7,10,13-14,18-20H,5,8H2,1-3H3/t10-,13-,14-/m1/s1

InChIKey

CEGDGMVESFOELX-LERXQTSPSA-N

SMILES

O=C1O[C@@H]([C@H](O)C)C[C@H](C=2C1=C(O)C=CC2CC=C(C)C)O

Metabolite of Species	Details
Pestalotiopsis (NCBI:txid37840)	See: DOI

ChEBI Ontology
Outgoing	Vaccinol F (CHEBI:206919) is a oxacycle (CHEBI:38104)

IUPAC Name

(3R,5R)-5,9-dihydroxy-3-[(1R)-1-hydroxyethyl]-6-(3-methylbut-2-enyl)-4,5-dihydro-3H-2-benzoxepin-1-one