12-hydroxylated guignardone A (CHEBI:216965)

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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	12-hydroxylated guignardone A

ChEBI ID	CHEBI:216965

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H22O5

Net Charge

Average Mass

306.358

Monoisotopic Mass

306.14672

InChI

InChI=1S/C17H22O5/c1-8(2)9-5-13(18)16(3)11(9)4-10-14(22-16)12-6-17(20,7-21-12)15(10)19/h9,11-13,18,20H,1,4-7H2,2-3H3/t9-,11-,12-,13-,16-,17+/m0/s1

InChIKey

IGDRQSDOUVIHQM-VMEHZNMRSA-N

SMILES

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

Metabolite of Species	Details
Guignardiaspecies (NCBI:txid1715232)	See: PubMed

ChEBI Ontology
Outgoing	12-hydroxylated guignardone A (CHEBI:216965) is a cyclohexenones (CHEBI:48953)

IUPAC Name

(1S,4S,5S,7R,8S,12R)-5,12-dihydroxy-4-methyl-7-prop-1-en-2-yl-3,14-dioxatetracyclo[10.2.1.02,10.04,8]pentadec-2(10)-en-11-one