CHEBI:32093 - Rescimetol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Rescimetol
ChEBI ID CHEBI:32093
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formulae C33H38N2O8
C33H38N2O8
Net Charge 0
Average Mass 590.665
Monoisotopic Mass 590.26282
InChI InChI=1S/C33H38N2O8/c1-39-20-7-8-21-22-11-12-35-17-19-14-28(43-29(37)10-6-18-5-9-26(36)27(13-18)40-2)32(41-3)30(33(38)42-4)23(19)16-25(35)31(22)34-24(21)15-20/h5-10,13,15,19,23,25,28,30,32,34,36H,11-12,14,16-17H2,1-4H3/b10-6+/t19-,23+,25-,28-,30+,32+/m1/s1
InChIKey MMUMZMIKZXSFSD-ADSVITMPSA-N
SMILES C(OC)(=O)[C@H]1[C@]2(C[C@@]3(C4=C(C5=C(N4)C=C(C=C5)OC)CCN3C[C@]2(C[C@H]([C@@H]1OC)OC(/C=C/C6=CC(OC)=C(C=C6)O)=O)[H])[H])[H]
ChEBI Ontology
Outgoing Rescimetol (CHEBI:32093) is a organic molecular entity (CHEBI:50860)
Synonyms Sources
Rescimetol KEGG COMPOUND
toscarna DrugCentral
Manual Xrefs Databases
3825 DrugCentral
D01894 KEGG DRUG
View more database links
Registry Number Type Source
73573-42-9 CAS Registry Number KEGG COMPOUND
Last Modified
22 February 2017