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CHEBI:208173 - Guignardone C

ChEBI IDCHEBI:208173
ChEBI NameGuignardone C
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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@@H]1C[C@@]3(O)CO1
InChIInChI=1S/C17H22O4/c1-9(2)10-4-5-16(3)12(10)6-11-14(18)13-7-17(19,8-20-13)15(11)21-16/h10,12-13,19H,1,4-8H2,2-3H3/t10-,12-,13-,16+,17+/m0/s1
InChIKeyDJBBHFCWBSNKEG-AWKHGQQRSA-N
Species of MetaboliteComponentSourceComments
Phyllosticta capitalensis (ncbitaxon:121624) - DOI (10.1002/ejoc.201000916)
ChEBI Ontology
Outgoing Relation(s)
Guignardone C (CHEBI:208173) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1R,4R,7R,8S,12S)-1-hydroxy-4-methyl-7-prop-1-en-2-yl-3,13-dioxatetracyclo[10.2.1.02,10.04,8]pentadec-2(10)-en-11-one
Manual XrefsDatabases
59002553ChemSpider