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CHEBI:209025 - Cinatrin A

Default Structure
ChEBI IDCHEBI:209025
ChEBI NameCinatrin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H26O8
Net Charge0
Average Mass370.398
Monoisotopic Mass370.16277
SMILESC=CCCCCCCCC[C@@H]1C[C@@]2(OC(=O)[C@H](O)[C@]2(O)C(=O)O)C(=O)O1
InChIInChI=1S/C18H26O8/c1-2-3-4-5-6-7-8-9-10-12-11-17(16(23)25-12)18(24,15(21)22)13(19)14(20)26-17/h2,12-13,19,24H,1,3-11H2,(H,21,22)/t12-,13+,17-,18+/m1/s1
InChIKeyZFUPZDZSERSKNA-OBQMCUGOSA-N
Species of MetaboliteComponentSourceComments
Circinotrichum (ncbitaxon:1508298) - PubMed (1548188)
ChEBI Ontology
Outgoing Relation(s)
Cinatrin A (CHEBI:209025) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(3R,4R,5S,8R)-8-dec-9-enyl-3,4-dihydroxy-2,6-dioxo-1,7-dioxaspiro[4.4]nonane-4-carboxylic acid
Manual XrefsDatabases
8243277ChemSpider