CHEBI:218565 - Cinatrin D

ChEBI IDCHEBI:218565
ChEBI NameCinatrin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H30O7
Net Charge0
Average Mass358.431
Monoisotopic Mass358.19915
SMILESCCCCCCCCCCCC[C@H]1C(=O)O[C@@H](C(=O)O)[C@@]1(O)C(=O)O
InChIInChI=1S/C18H30O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(21)25-14(15(19)20)18(13,24)17(22)23/h13-14,24H,2-12H2,1H3,(H,19,20)(H,22,23)/t13-,14-,18+/m0/s1
InChIKeyGVLRAQXHGZVPNP-SUNYJGFJSA-N
Species of MetaboliteComponentSourceComments
Virgaria (ncbitaxon:1085561) - PubMed (25899122)
ChEBI Ontology
Outgoing Relation(s)
Cinatrin D (CHEBI:218565) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(2R,3R,4R)-4-dodecyl-3-hydroxy-5-oxooxolane-2,3-dicarboxylic acid
Manual XrefsDatabases
78437603ChemSpider