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CHEBI:204762 - Trans-6-(1-hydroxyethyl)-3,4-dihydroxy-2,2-dimethylchromane

ChEBI IDCHEBI:204762
ChEBI NameTrans-6-(1-hydroxyethyl)-3,4-dihydroxy-2,2-dimethylchromane
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H18O4
Net Charge0
Average Mass238.283
Monoisotopic Mass238.12051
SMILESCC(O)c1ccc2c(c1)[C@H](O)[C@@H](O)C(C)(C)O2
InChIInChI=1S/C13H18O4/c1-7(14)8-4-5-10-9(6-8)11(15)12(16)13(2,3)17-10/h4-7,11-12,14-16H,1-3H3/t7?,11-,12+/m0/s1
InChIKeyRNNNVOIAPLFKAW-FRJORHAFSA-N
Species of MetaboliteComponentSourceComments
Paraphaeosphaeria minitans (ncbitaxon:565426) - DOI (10.1016/s0031-9422(01)00129-7)
ChEBI Ontology
Outgoing Relation(s)
Trans-6-(1-hydroxyethyl)-3,4-dihydroxy-2,2-dimethylchromane (CHEBI:204762) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(3R,4S)-6-(1-hydroxyethyl)-2,2-dimethyl-3,4-dihydrochromene-3,4-diol
Manual XrefsDatabases
78440197ChemSpider