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CHEBI:205925 - Mangiferaelactone

Default Structure
ChEBI IDCHEBI:205925
ChEBI NameMangiferaelactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O8
Net Charge0
Average Mass400.468
Monoisotopic Mass400.20972
SMILESCCCCCCC[C@@H]1OC(=O)CC[C@@H](OC(=O)CCC(=O)O)/C=C/[C@@H](O)[C@H]1O
InChIInChI=1S/C20H32O8/c1-2-3-4-5-6-7-16-20(26)15(21)10-8-14(9-12-19(25)28-16)27-18(24)13-11-17(22)23/h8,10,14-16,20-21,26H,2-7,9,11-13H2,1H3,(H,22,23)/b10-8+/t14-,15+,16-,20+/m0/s1
InChIKeyOUOHBCJNWADUGG-WFRFMXGVSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis mangiferae (ncbitaxon:748176) - DOI (10.1016/j.tetlet.2014.03.012)
ChEBI Ontology
Outgoing Relation(s)
Mangiferaelactone (CHEBI:205925) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
4-[[(2S,3R,4R,5E,7R)-2-heptyl-3,4-dihydroxy-10-oxo-2,3,4,7,8,9-hexahydrooxecin-7-yl]oxy]-4-oxobutanoic acid
Manual XrefsDatabases
78441925ChemSpider