CHEBI:112728 - 2-hydroxy-3,5,7-tris(hydroxymethyl)-1-cyclohepta-2,4,6-trienone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-hydroxy-3,5,7-tris(hydroxymethyl)-1-cyclohepta-2,4,6-trienone
ChEBI ID CHEBI:112728
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C10H12O5
Net Charge 0
Average Mass 212.200
Monoisotopic Mass 212.06847
InChI InChI=1S/C10H12O5/c11-3-6-1-7(4-12)9(14)10(15)8(2-6)5-13/h1-2,11-13H,3-5H2,(H,14,15)
InChIKey QMVFVYSXZNMEBK-UHFFFAOYSA-N
SMILES C1=C(C=C(C(=O)C(=C1CO)O)CO)CO
ChEBI Ontology
Outgoing 2-hydroxy-3,5,7-tris(hydroxymethyl)-1-cyclohepta-2,4,6-trienone (CHEBI:112728) is a cyclic ketone (CHEBI:3992)
Manual Xref Database
LSM-24138 LINCS
View more database links