CHEBI:173763 - Thermophillin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Thermophillin
ChEBI ID CHEBI:173763
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C8H8O4
Net Charge 0
Average Mass 168.148
Monoisotopic Mass 168.04226
InChI InChI=1S/C8H8O4/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3
InChIKey RMMPZDDLWLALLJ-UHFFFAOYSA-N
SMILES O(C=1C(=O)C=C(OC)C(=O)C1)C
ChEBI Ontology
Outgoing Thermophillin (CHEBI:173763) is a p-quinones (CHEBI:25830)
Thermophillin (CHEBI:173763) is a benzoquinones (CHEBI:22729)
IUPAC Name
2,5-dimethoxycyclohexa-2,5-diene-1,4-dione
Manual Xrefs Databases
91630 ChemSpider
C01692 KEGG COMPOUND
DISULFIRAM MetaCyc
HMDB0034335 HMDB
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Registry Number Type Source
3117-03-1 CAS Registry Number ChemIDplus