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CHEBI:202475 - Cytospolide P

Default Structure
ChEBI IDCHEBI:202475
ChEBI NameCytospolide P
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H28O6
Net Charge0
Average Mass328.405
Monoisotopic Mass328.18859
SMILESCCCCC[C@H]1OC(=O)[C@@H](C)C(=O)C[C@H](OC(C)=O)CC[C@@H]1O
InChIInChI=1S/C17H28O6/c1-4-5-6-7-16-14(19)9-8-13(22-12(3)18)10-15(20)11(2)17(21)23-16/h11,13-14,16,19H,4-10H2,1-3H3/t11-,13+,14-,16+/m0/s1
InChIKeyULYITTZTULSLHI-ZGMNHVEMSA-N
Species of MetaboliteComponentSourceComments
Cytosporaspecies (ncbitaxon:1715226) - PubMed (22011230)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Cytospolide P (CHEBI:202475) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
[(3S,6R,9S,10R)-9-hydroxy-3-methyl-2,4-dioxo-10-pentyloxecan-6-yl] acetate
Manual XrefsDatabases
78436877ChemSpider