Guignardone I (CHEBI:200862)

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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 I

ChEBI ID	CHEBI:200862

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H26O5

Net Charge

Average Mass

310.390

Monoisotopic Mass

310.17802

InChI

InChI=1S/C17H26O5/c1-16(2,20)10-5-6-17(3)11(10)7-9-14(19)13(21-4)8-12(18)15(9)22-17/h10-13,18,20H,5-8H2,1-4H3/t10-,11+,12+,13+,17-/m1/s1

InChIKey

WRBUZDRDVYGZFV-KEKQHROYSA-N

SMILES

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

ChEBI Ontology
Outgoing	Guignardone I (CHEBI:200862) is a cyclohexenones (CHEBI:48953)

IUPAC Name

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