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CHEBI:207453 - Graphostromol I

ChEBI IDCHEBI:207453
ChEBI NameGraphostromol I
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O4
Net Charge0
Average Mass226.272
Monoisotopic Mass226.12051
SMILESCCC(=O)[C@@H](C)[C@@H](O)/C=C/C(C)=C/C(=O)O
InChIInChI=1S/C12H18O4/c1-4-10(13)9(3)11(14)6-5-8(2)7-12(15)16/h5-7,9,11,14H,4H2,1-3H3,(H,15,16)/b6-5+,8-7+/t9-,11+/m1/s1
InChIKeyZAUVCPKOTKAFRS-WADGAMFQSA-N
Species of MetaboliteComponentSourceComments
Graphostromaspecies (ncbitaxon:1933438) - PubMed (31368179)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Graphostromol I (CHEBI:207453) is a oxo carboxylic acid (CHEBI:25754)
IUPAC Name 
(2E,4E,6S,7S)-6-hydroxy-3,7-dimethyl-8-oxodeca-2,4-dienoic acid