Guignardone B (CHEBI:198221)

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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	Guignardone B

ChEBI ID	CHEBI:198221

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

Submitter	MetaboLights

Supplier Information

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Formula

C17H24O5

Net Charge

Average Mass

308.374

Monoisotopic Mass

308.16237

InChI

InChI=1S/C17H24O5/c1-15(2,19)10-4-5-16(3)11(10)6-9-13(22-16)12-7-17(20,8-21-12)14(9)18/h10-12,19-20H,4-8H2,1-3H3/t10-,11+,12+,16-,17-/m1/s1

InChIKey

PBDZWPWWXYHYII-PRNVEUERSA-N

SMILES

O=C1C2=C(O[C@@]3(CC[C@H]([C@@H]3C2)C(O)(C)C)C)[C@@H]4C[C@@]1(O)CO4

Metabolite of Species	Details
Phyllosticta capitalensis (NCBI:txid121624)	See: DOI

ChEBI Ontology
Outgoing	Guignardone B (CHEBI:198221) is a cyclohexenones (CHEBI:48953)

IUPAC Name

(1S,4R,7R,8S,12R)-12-hydroxy-7-(2-hydroxypropan-2-yl)-4-methyl-3,14-dioxatetracyclo[10.2.1.02,10.04,8]pentadec-2(10)-en-11-one