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CHEBI:197969 - (4aS,5R,6S)-4a,5-dihydroxy-3-(methoxymethyl)-6-vinyl-4a,5,6,7-tetrahydro-4H-chromen-4-one

ChEBI IDCHEBI:197969
ChEBI Name(4aS,5R,6S)-4a,5-dihydroxy-3-(methoxymethyl)-6-vinyl-4a,5,6,7-tetrahydro-4H-chromen-4-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O5
Net Charge0
Average Mass252.266
Monoisotopic Mass252.09977
SMILESC=C[C@@H]1CC=C2OC=C(COC)C(=O)[C@]2(O)[C@@H]1O
InChIInChI=1S/C13H16O5/c1-3-8-4-5-10-13(16,11(8)14)12(15)9(6-17-2)7-18-10/h3,5,7-8,11,14,16H,1,4,6H2,2H3/t8-,11-,13-/m1/s1
InChIKeyPTPJFJWUFUTPEZ-XTWCZFFVSA-N
Species of MetaboliteComponentSourceComments
Xylariaspecies (ncbitaxon:1715255) - DOI (10.1016/j.phytol.2014.06.011)
ChEBI Ontology
Outgoing Relation(s)
(4aS,5R,6S)-4a,5-dihydroxy-3-(methoxymethyl)-6-vinyl-4a,5,6,7-tetrahydro-4H-chromen-4-one (CHEBI:197969) is a pyranone (CHEBI:37963)
IUPAC Name 
(4aS,5R,6S)-6-ethenyl-4a,5-dihydroxy-3-(methoxymethyl)-6,7-dihydro-5H-chromen-4-one
Manual XrefsDatabases
78439988ChemSpider