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CHEBI:198431 - (2S,3S,4S)-3,4-dihydroxy-2-methyl-7-[(2R,3R)-3-methyloxiran-2-yl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one

Default Structure
ChEBI IDCHEBI:198431
ChEBI Name(2S,3S,4S)-3,4-dihydroxy-2-methyl-7-[(2R,3R)-3-methyloxiran-2-yl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O6
Net Charge0
Average Mass254.238
Monoisotopic Mass254.07904
SMILESC[C@@H]1Oc2cc([C@@H]3O[C@@H]3C)oc(=O)c2[C@H](O)[C@@H]1O
InChIInChI=1S/C12H14O6/c1-4-9(13)10(14)8-6(16-4)3-7(18-12(8)15)11-5(2)17-11/h3-5,9-11,13-14H,1-2H3/t4-,5+,9+,10-,11+/m0/s1
InChIKeyNMKGLAKGYDSFIK-BHVXPUBBSA-N
Species of MetaboliteComponentSourceComments
Bipolaris (ncbitaxon:33194) - DOI (10.1016/s0031-9422(96)00804-7)
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,4S)-3,4-dihydroxy-2-methyl-7-[(2R,3R)-3-methyloxiran-2-yl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one (CHEBI:198431) is a pyranone (CHEBI:37963)
IUPAC Name 
(2S,3S,4S)-3,4-dihydroxy-2-methyl-7-[(2R,3R)-3-methyloxiran-2-yl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
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78436357ChemSpider