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CHEBI:210579 - (3R,4S)-6,8-dihydroxy-1,1-dimethyl-3,4,5-trimethylisochroman

ChEBI IDCHEBI:210579
ChEBI Name(3R,4S)-6,8-dihydroxy-1,1-dimethyl-3,4,5-trimethylisochroman
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O3
Net Charge0
Average Mass236.311
Monoisotopic Mass236.14124
SMILESCc1c(O)cc(O)c2c1[C@H](C)[C@@H](C)OC2(C)C
InChIInChI=1S/C14H20O3/c1-7-9(3)17-14(4,5)13-11(16)6-10(15)8(2)12(7)13/h6-7,9,15-16H,1-5H3/t7-,9-/m1/s1
InChIKeyJDZPDZRHOWTMQQ-VXNVDRBHSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/j.tet.2012.07.060)
ChEBI Ontology
Outgoing Relation(s)
(3R,4S)-6,8-dihydroxy-1,1-dimethyl-3,4,5-trimethylisochroman (CHEBI:210579) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3R,4S)-1,1,3,4,5-pentamethyl-3,4-dihydroisochromene-6,8-diol
Manual XrefsDatabases
29215048ChemSpider