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CHEBI:223743 - 17-hydroxylated guignardone A

ChEBI IDCHEBI:223743
ChEBI Name17-hydroxylated guignardone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O5
Net Charge0
Average Mass306.358
Monoisotopic Mass306.14672
SMILESC=C(CO)[C@@H]1CC[C@@]2(C)OC3=C(C[C@@H]12)C(=O)[C@]1(O)CO[C@H]3C1
InChIInChI=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
InChIKeyRADDUHIWJIUFSD-AWKHGQQRSA-N
Species of MetaboliteComponentSourceComments
Guignardiaspecies (ncbitaxon:1715232) - PubMed (26577190)
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
58916285ChemSpider