CHEBI:169020 - (1S,2S,4R,8R)-p-Menthane-1,2,8,9-tetrol

ChEBI IDCHEBI:169020
ChEBI Name(1S,2S,4R,8R)-p-Menthane-1,2,8,9-tetrol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H20O4
Net Charge0
Average Mass204.266
Monoisotopic Mass204.13616
SMILESCC1(O)CCC(C(C)(O)CO)CC1O
InChIInChI=1S/C10H20O4/c1-9(13)4-3-7(5-8(9)12)10(2,14)6-11/h7-8,11-14H,3-6H2,1-2H3
InChIKeyQEFNQQRVZDFDIJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
(1S,2S,4R,8R)-p-Menthane-1,2,8,9-tetrol (CHEBI:169020) is a p-menthane monoterpenoid (CHEBI:25186)
IUPAC Name 
4-(1,2-dihydroxypropan-2-yl)-1-methylcyclohexane-1,2-diol
Manual XrefsDatabases
99340ChemSpider
HMDB0039974HMDB
Registry NumbersSources
CAS:5581-31-7ChemIDplus