CHEBI:71184 - 2-hydroxy-3-(2-hydroxyethyl)naphthalene-1,4-dione

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-hydroxy-3-(2-hydroxyethyl)naphthalene-1,4-dione
ChEBI ID CHEBI:71184
Definition A naphthoquinone that is naphthalene-1,4-dione substituted by a hydroxy group and a 2-hydroxyethyl group at positions 2 and 3 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C12H10O4
Net Charge 0
Average Mass 218.20540
Monoisotopic Mass 218.05791
InChI InChI=1S/C12H10O4/c13-6-5-9-10(14)7-3-1-2-4-8(7)11(15)12(9)16/h1-4,13,16H,5-6H2
InChIKey XMPOZGVQVZPRFL-UHFFFAOYSA-N
SMILES OCCC1=C(O)C(=O)c2ccccc2C1=O
ChEBI Ontology
Outgoing 2-hydroxy-3-(2-hydroxyethyl)naphthalene-1,4-dione (CHEBI:71184) is a diol (CHEBI:23824)
2-hydroxy-3-(2-hydroxyethyl)naphthalene-1,4-dione (CHEBI:71184) is a hydroxy-1,4-naphthoquinone (CHEBI:132157)
2-hydroxy-3-(2-hydroxyethyl)naphthalene-1,4-dione (CHEBI:71184) is conjugate acid of 3-(2-hydroxyethyl)-1,4-dioxo-1,4-dihydronaphthalen-2-olate (CHEBI:71183)
Incoming 3-(2-hydroxyethyl)-1,4-dioxo-1,4-dihydronaphthalen-2-olate (CHEBI:71183) is conjugate base of 2-hydroxy-3-(2-hydroxyethyl)naphthalene-1,4-dione (CHEBI:71184)
IUPAC Name
2-hydroxy-3-(2-hydroxyethyl)naphthalene-1,4-dione
Registry Number Type Source
9562455 Reaxys Registry Number Reaxys
Last Modified
09 June 2016