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CHEBI:200384 - Cytospolide N

Default Structure
ChEBI IDCHEBI:200384
ChEBI NameCytospolide N
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H28O7
Net Charge0
Average Mass344.404
Monoisotopic Mass344.18350
SMILESCC(=O)OCCCCC[C@H]1OC(=O)[C@H](C)[C@H](O)[C@@H](O)[C@H]2CC[C@@H]1O2
InChIInChI=1S/C17H28O7/c1-10-15(19)16(20)14-8-7-13(23-14)12(24-17(10)21)6-4-3-5-9-22-11(2)18/h10,12-16,19-20H,3-9H2,1-2H3/t10-,12-,13+,14-,15+,16+/m1/s1
InChIKeyAXMYBKVKZPWGTH-BAGFCZJQSA-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 N (CHEBI:200384) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
5-[(1S,2R,5R,6S,7R,8R)-6,7-dihydroxy-5-methyl-4-oxo-3,11-dioxabicyclo[6.2.1]undecan-2-yl]pentyl acetate
Manual XrefsDatabases
78436612ChemSpider