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CHEBI:70192 - 2,3-bis(hydroxymethyl)-7-hydroxy-6-methoxy-1-tetralone

ChEBI IDCHEBI:70192
ChEBI Name2,3-bis(hydroxymethyl)-7-hydroxy-6-methoxy-1-tetralone
Stars
DefinitionA member of the class of tetralins that is 3,4-dihydronaphthalen-1(2H)-one substituted by a hydroxy group at position 7, two hydroxymethyl groups at positions 2 and 4 and a methoxy group at position 6. It has been isolated from Taxus yunnanensis.
Last Modified13 October 2014
DownloadsMolfile
FormulaC13H16O5
Net Charge0
Average Mass252.266
Monoisotopic Mass252.09977
SMILESCOc1cc2c(cc1O)C(=O)[C@@H](CO)[C@H](CO)C2
InChIInChI=1S/C13H16O5/c1-18-12-3-7-2-8(5-14)10(6-15)13(17)9(7)4-11(12)16/h3-4,8,10,14-16H,2,5-6H2,1H3/t8-,10-/m0/s1
InChIKeyWNTGJRDWTGWZJM-WPRPVWTQSA-N
Species of MetaboliteComponentSourceComments
Taxus yunnanensis (ncbitaxon:147275) xylem (BTO:0001468) PubMed (21138310) Previous component: wood; Aqueous extract of air-dried, powdered wood
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
2,3-bis(hydroxymethyl)-7-hydroxy-6-methoxy-1-tetralone (CHEBI:70192) has role plant metabolite (CHEBI:76924)
2,3-bis(hydroxymethyl)-7-hydroxy-6-methoxy-1-tetralone (CHEBI:70192) is a aromatic ether (CHEBI:35618)
2,3-bis(hydroxymethyl)-7-hydroxy-6-methoxy-1-tetralone (CHEBI:70192) is a cyclic ketone (CHEBI:3992)
2,3-bis(hydroxymethyl)-7-hydroxy-6-methoxy-1-tetralone (CHEBI:70192) is a phenols (CHEBI:33853)
2,3-bis(hydroxymethyl)-7-hydroxy-6-methoxy-1-tetralone (CHEBI:70192) is a primary alcohol (CHEBI:15734)
2,3-bis(hydroxymethyl)-7-hydroxy-6-methoxy-1-tetralone (CHEBI:70192) is a tetralins (CHEBI:36786)
2,3-bis(hydroxymethyl)-7-hydroxy-6-methoxy-1-tetralone (CHEBI:70192) is a triol (CHEBI:27136)
IUPAC Name 
(2R,3R)-7-hydroxy-2,3-bis(hydroxymethyl)-6-methoxy-3,4-dihydronaphthalen-1(2H)-one
Registry NumbersSources
Reaxys:21220933Reaxys
Citations