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CHEBI:200388 - Cycloepoxytriol A

ChEBI IDCHEBI:200388
ChEBI NameCycloepoxytriol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O5
Net Charge0
Average Mass242.271
Monoisotopic Mass242.11542
SMILESCCC[C@H]1OCC2=C([C@H]1O)[C@H](O)[C@H]1OC1[C@@H]2O
InChIInChI=1S/C12H18O5/c1-2-3-6-9(14)7-5(4-16-6)8(13)11-12(17-11)10(7)15/h6,8-15H,2-4H2,1H3/t6-,8-,9+,10+,11?,12-/m1/s1
InChIKeyAESCGIUGTAAQDV-SMQJTWJRSA-N
Species of MetaboliteComponentSourceComments
Phomopsis (ncbitaxon:34399) - DOI (10.1002/ejoc.200801052)
ChEBI Ontology
Outgoing Relation(s)
Cycloepoxytriol A (CHEBI:200388) is a pyrans (CHEBI:26407)
IUPAC Name 
(2R,5R,6R,7S,7aR)-5-propyl-2,3,5,6,7,7a-hexahydro-1aH-oxireno[2,3-g]isochromene-2,6,7-triol
Manual XrefsDatabases
78436613ChemSpider