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dicoumarol

PropertiesImage
MNX_IDMNXM50554 Image of MNXM50554
referencechebi:4513
formulaC19H12O6
global charge0
mol weight336.299
InChIKeyDOBMPNYZJYQDGZ-UHFFFAOYSA-N
InChIInChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2
SMILESO=C1OC2=CC=CC=C2C(O)=C1CC1=C(O)C2=CC=CC=C2OC1=O
MNX internals
InChI (mnx)InChI=1/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2 Image of MNXM50554
SMILES (mnx)[CH:1]1=[CH:3][CH:7]=[C:14]2[C:10](=[CH:5]1)[C:16]([OH:20])=[C:12]([CH2:9][C:13]1=[C:17]([OH:21])[C:11]3=[CH:6][CH:2]=[CH:4][CH:8]=[C:15]3[O:25][C:19]1=[O:23])[C:18](=[O:22])[O:24]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-9035047
reactomeM:R-ALL-9035047
CHEBI:4513
chebi:4513
DOBMPNYZJYQDGZ-UHFFFAOYSA-N 		dicoumarol
3,3'-methanediylbis(4-hydroxy-2H-chromen-2-one)
3,3'-methylen-bis(4-hydroxy-cumarin)
3,3'-methylene-bis(4-hydroxycoumarine)
3,3'-methylenebis(4-hydroxy-1,2-benzopyrone)
3,3'-methylenebis(4-hydroxy-2H-1-benzopyran-2-one)
3,3'-methylenebis(4-hydroxycoumarin)
Dicoumarol
Dicumarol
bis(4-hydroxycoumarin-3-yl)methane
bis-3,3'-(4-hydroxycoumarinyl)methane
bis-hydroxycoumarin
di-(4-hydroxy-3-coumarinyl)methane
dicoumarolum
dicumarol

kegg.drug:D03798
keggD:D03798
DOBMPNYZJYQDGZ-UHFFFAOYSA-N 		Dicumarol (USAN)
Dicoumarol (INN)
Dicumarol (TN)
hmdb:HMDB0014411
DOBMPNYZJYQDGZ-UHFFFAOYSA-N 		Dicumarol
3,3'-Methylen-bis(4-hydroxy-cumarin)
3,3'-Methylene-bis(4-hydroxycoumarine)
3,3'-Methylenebis(4-hydroxy-1,2-benzopyrone)
3,3'-Methylenebis(4-hydroxy-2H-1-benzopyran-2-one)
3,3'-Methylenebis(4-hydroxycoumarin)
4-hydroxy-3-[(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]-2H-chromen-2-one
Bis(4-hydroxycoumarin-3-yl)methane
Bis-3,3'-(4-hydroxycoumarinyl)methane
Bis-hydroxycoumarin
Bishydroxycoumarin
Di-(4-hydroxy-3-coumarinyl)methane
Dicoumarin
Dicoumarol
Dicoumarolum
dicoumarol

kegg.compound:C00796
keggC:C00796
DOBMPNYZJYQDGZ-UHFFFAOYSA-N 		Dicumarol
Dicoumarol

seed.compound:cpd00590
seedM:cpd00590
DOBMPNYZJYQDGZ-UHFFFAOYSA-L 		Dicumarol
Dicoumarol
bis-hydroxycoumarin
dicoumarin
dicoumarol
dicumarol
melitoxin

metacyc.compound:DICOUMAROL
metacycM:DICOUMAROL
DOBMPNYZJYQDGZ-UHFFFAOYSA-N 		dicoumarol
bis-hydroxycoumarin
dicoumarin
dicumarol
melitoxin

hmdb:HMDB14411
chebi:469386
keggC:M_C00796
keggD:M_D03798
seedM:M_cpd00590 		secondary/obsolete/fantasy identifier