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CHEBI:205847 - Cinatrin C2

Default Structure
ChEBI IDCHEBI:205847
ChEBI NameCinatrin C2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H30O8
Net Charge0
Average Mass374.430
Monoisotopic Mass374.19407
SMILESCCCCCCCCCCC[C@H](O)[C@H]1C(=O)O[C@@H](C(=O)O)[C@]1(O)C(=O)O
InChIInChI=1S/C18H30O8/c1-2-3-4-5-6-7-8-9-10-11-12(19)13-16(22)26-14(15(20)21)18(13,25)17(23)24/h12-14,19,25H,2-11H2,1H3,(H,20,21)(H,23,24)/t12-,13-,14-,18-/m0/s1
InChIKeyCBKUHGBCDSGBHV-NUXNZHGMSA-N
Species of MetaboliteComponentSourceComments
Circinotrichum (ncbitaxon:1508298) - PubMed (1548188)
ChEBI Ontology
Outgoing Relation(s)
Cinatrin C2 (CHEBI:205847) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(2R,3S,4R)-3-hydroxy-4-[(1S)-1-hydroxydodecyl]-5-oxooxolane-2,3-dicarboxylic acid