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CHEBI:199752 - Guignardone A

ChEBI IDCHEBI:199752
ChEBI NameGuignardone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O4
Net Charge0
Average Mass290.359
Monoisotopic Mass290.15181
SMILESC=C(C)[C@@H]1CC[C@@]2(C)OC3=C(C[C@@H]12)C(=O)[C@]1(O)CO[C@H]3C1
InChIInChI=1S/C17H22O4/c1-9(2)10-4-5-16(3)12(10)6-11-14(21-16)13-7-17(19,8-20-13)15(11)18/h10,12-13,19H,1,4-8H2,2-3H3/t10-,12-,13-,16+,17+/m0/s1
InChIKeyPDDUOBCTLLRRFF-AWKHGQQRSA-N
Species of MetaboliteComponentSourceComments
Phyllosticta capitalensis (ncbitaxon:121624) - PubMed (25519918)
ChEBI Ontology
Outgoing Relation(s)
Guignardone A (CHEBI:199752) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1S,4R,7R,8S,12R)-12-hydroxy-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
29215074ChemSpider