Vaccinol B (CHEBI:204206)

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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 B

ChEBI ID	CHEBI:204206

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H20O3

Net Charge

Average Mass

272.344

Monoisotopic Mass

272.14124

InChI

InChI=1S/C17H20O3/c1-10(2)4-5-12-6-8-14(18)16-13(12)7-9-15-11(3)19-17(16)20-15/h4,6-9,11,15,17-18H,5H2,1-3H3/t11-,15+,17-/m0/s1

InChIKey

SIHDWOBVGPXLHQ-CXMBCZLWSA-N

SMILES

O1[C@@H]2O[C@H]([C@H]1C=CC3=C2C(O)=CC=C3CC=C(C)C)C

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

ChEBI Ontology
Outgoing	Vaccinol B (CHEBI:204206) is a phenols (CHEBI:33853)

IUPAC Name

(1S,10R,11S)-11-methyl-6-(3-methylbut-2-enyl)-12,13-dioxatricyclo[8.2.1.02,7]trideca-2,4,6,8-tetraen-3-ol