Guignardone G (CHEBI:199194)

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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 G

ChEBI ID	CHEBI:199194

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H22O4

Net Charge

Average Mass

278.348

Monoisotopic Mass

278.15181

InChI

InChI=1S/C16H22O4/c1-8(2)9-4-5-16(3)11(9)6-10-14(19)12(17)7-13(18)15(10)20-16/h9,11-13,17-18H,1,4-7H2,2-3H3/t9-,11-,12-,13-,16+/m0/s1

InChIKey

XXEZBUQSFPDVPL-BYIGHTSFSA-N

SMILES

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

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

ChEBI Ontology
Outgoing	Guignardone G (CHEBI:199194) is a cyclohexenones (CHEBI:48953)

IUPAC Name

(1R,3aR,5S,7S,9aS)-5,7-dihydroxy-3a-methyl-1-prop-1-en-2-yl-1,2,3,5,6,7,9,9a-octahydrocyclopenta[b]chromen-8-one