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CHEBI:216965 - 12-hydroxylated guignardone A

ChEBI IDCHEBI:216965
ChEBI Name12-hydroxylated guignardone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O5
Net Charge0
Average Mass306.358
Monoisotopic Mass306.14672
SMILESC=C(C)[C@@H]1C[C@H](O)[C@@]2(C)OC3=C(C[C@@H]12)C(=O)[C@]1(O)CO[C@H]3C1
InChIInChI=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
InChIKeyIGDRQSDOUVIHQM-VMEHZNMRSA-N
Species of MetaboliteComponentSourceComments
Guignardiaspecies (ncbitaxon:1715232) - PubMed (26577190)
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
58916284ChemSpider