17-hydroxylated guignardone A (CHEBI:223743)

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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	17-hydroxylated guignardone A

ChEBI ID	CHEBI:223743

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/c1-9(7-18)10-3-4-16(2)12(10)5-11-14(22-16)13-6-17(20,8-21-13)15(11)19/h10,12-13,18,20H,1,3-8H2,2H3/t10-,12-,13-,16+,17+/m0/s1

InChIKey

RADDUHIWJIUFSD-AWKHGQQRSA-N

SMILES

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

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

ChEBI Ontology
Outgoing	17-hydroxylated guignardone A (CHEBI:223743) is a cyclohexenones (CHEBI:48953)

IUPAC Name

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