Guignardone D (CHEBI:218120)

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ChEBI Ontology

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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 D

ChEBI ID	CHEBI:218120

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H24O4

Net Charge

Average Mass

292.375

Monoisotopic Mass

292.16746

InChI

InChI=1S/C17H24O4/c1-9(2)10-5-6-17(3)12(10)7-11-15(19)13(18)8-14(20-4)16(11)21-17/h10,12-14,18H,1,5-8H2,2-4H3/t10-,12-,13-,14-,17+/m0/s1

InChIKey

OICVSQXUNLEFRY-OKDJTYDRSA-N

SMILES

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

ChEBI Ontology
Outgoing	Guignardone D (CHEBI:218120) is a cyclohexenones (CHEBI:48953)

IUPAC Name

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