Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:93166 - naphthalene-1,2,4-trione
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
naphthalene-1,2,4-trione
ChEBI ID
CHEBI:93166
Stars
This entity has been manually annotated by a third party.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C10H6O3
Net Charge
0
Average Mass
174.153
Monoisotopic Mass
174.03169
InChI
InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-4H,5H2
InChIKey
SLJWCCMDGTZEGQ-UHFFFAOYSA-N
SMILES
C1C(=O)C2=CC=CC=C2C(=O)C1=O
ChEBI Ontology
Outgoing
naphthalene-1,2,4-trione (
CHEBI:93166
)
is a
cyclic ketone (
CHEBI:3992
)
naphthalene-1,2,4-trione (
CHEBI:93166
)
is tautomer of
lawsone (
CHEBI:44401
)
Incoming
lawsone (
CHEBI:44401
)
is tautomer of
naphthalene-1,2,4-trione (
CHEBI:93166
)
Manual Xref
Database
LSM-3483
LINCS
View more database links
Last Modified
07 June 2016