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

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ChEBI Name 2,3-bis(hydroxymethyl)-7-hydroxy-6-methoxy-1-tetralone
ChEBI ID CHEBI:70192
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C13H16O5
Net Charge 0
Average Mass 252.26310
Monoisotopic Mass 252.09977
InChI InChI=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
InChIKey WNTGJRDWTGWZJM-WPRPVWTQSA-N
SMILES COc1cc2C[C@@H](CO)[C@H](CO)C(=O)c2cc1O
Metabolite of Species Details
Taxus yunnanensis (NCBI:txid147275) Found in xylem (BTO:0001468). Previous component: wood; Aqueous extract of air-dried, powdered wood See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing 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 Number Type Source
21220933 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21138310 PubMed citation Europe PMC
Last Modified
13 October 2014