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CHEBI:207459 - Graphostromol J

ChEBI IDCHEBI:207459
ChEBI NameGraphostromol J
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20O4
Net Charge0
Average Mass228.288
Monoisotopic Mass228.13616
SMILESCCC(=O)[C@@H](C)[C@@H](O)/C=C/C(C)CC(=O)O
InChIInChI=1S/C12H20O4/c1-4-10(13)9(3)11(14)6-5-8(2)7-12(15)16/h5-6,8-9,11,14H,4,7H2,1-3H3,(H,15,16)/b6-5+/t8?,9-,11+/m1/s1
InChIKeyBQXZMOWTHZZDNJ-SYEHMEJWSA-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 J (CHEBI:207459) is a oxo carboxylic acid (CHEBI:25754)
IUPAC Name 
(E,6S,7S)-6-hydroxy-3,7-dimethyl-8-oxodec-4-enoic acid