Guignardone R (CHEBI:222308)

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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 R

ChEBI ID	CHEBI:222308

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H28O5

Net Charge

Average Mass

324.417

Monoisotopic Mass

324.19367

InChI

InChI=1S/C18H28O5/c1-17(2,22-5)11-6-7-18(3)12(11)8-10-15(20)14(21-4)9-13(19)16(10)23-18/h11-14,19H,6-9H2,1-5H3/t11-,12+,13+,14+,18-/m1/s1

InChIKey

WMBLMIONLZYJFU-REZKGXPESA-N

SMILES

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

Metabolite of Species	Details
Guignardia (NCBI:txid55180)	See: PubMed

ChEBI Ontology
Outgoing	Guignardone R (CHEBI:222308) is a cyclohexenones (CHEBI:48953)

IUPAC Name

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