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CHEBI:201360 - Cinatrin C3

Default Structure
ChEBI IDCHEBI:201360
ChEBI NameCinatrin C3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H30O8
Net Charge0
Average Mass374.430
Monoisotopic Mass374.19407
SMILESCCCCCCCCCCCC[C@@]1(O)C(=O)O[C@@H](C(=O)O)[C@]1(O)C(=O)O
InChIInChI=1S/C18H30O8/c1-2-3-4-5-6-7-8-9-10-11-12-17(24)16(23)26-13(14(19)20)18(17,25)15(21)22/h13,24-25H,2-12H2,1H3,(H,19,20)(H,21,22)/t13-,17+,18-/m0/s1
InChIKeyNFUSNACHMOKOQN-VHSSKADRSA-N
Species of MetaboliteComponentSourceComments
Circinotrichum (ncbitaxon:1508298) - PubMed (1548188)
ChEBI Ontology
Outgoing Relation(s)
Cinatrin C3 (CHEBI:201360) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(2R,3R,4S)-4-dodecyl-3,4-dihydroxy-5-oxooxolane-2,3-dicarboxylic acid
Manual XrefsDatabases
8627455ChemSpider