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3',4'-Dihydrodiol

PropertiesImage
MNX_IDMNXM117139 Image of MNXM117139
referencechebi:174720
formulaC15H14N2O4
global charge0
mol weight286.287
InChIKeyFEEKFEKCXIDMIS-KOHJWAIASA-N
InChIInChI=1S/C15H14N2O4/c18-11-7-6-10(8-12(11)19)15(9-4-2-1-3-5-9)13(20)16-14(21)17-15/h1-8,11-12,18-19H,(H2,16,17,20,21)/t11?,12?,15-/m1/s1
SMILESO=C1NC(=O)[C@@](C2=CC=CC=C2)(C2=CC(O)C(O)C=C2)N1
MNX internals
InChI (mnx)InChI=1/C15H14N2O4/c18-11-7-6-10(8-12(11)19)15(9-4-2-1-3-5-9)13(20)16-14(21)17-15/h1-8,11-12,18-19H,(H2,16,17,20,21)/t11?,12?,15-/m1/s1 Image of MNXM117139
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:9]([C@@:15]2([C:10]3=[CH:8][CH:12]([OH:19])[CH:11]([OH:18])[CH:7]=[CH:6]3)[C:13]([OH:20])=[N:16][C:14]([OH:21])=[N:17]2)[CH:5]=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

hmdb:HMDB0013895
CHEBI:174720
chebi:174720
FEEKFEKCXIDMIS-KOHJWAIASA-N 		3',4'-Dihydrodiol
(5R)-5-(3,4-dihydroxycyclohexa-1,5-dien-1-yl)-5-phenylimidazolidine-2,4-dione

CHEBI:166540
chebi:166540
FEEKFEKCXIDMIS-UHFFFAOYSA-N 		5-(3,4-Dihydroxy-1,5-cyclohexadien-1-yl)-5-phenylhydantoin
5-(3,4-dihydroxycyclohexa-1,5-dien-1-yl)-5-phenylimidazolidine-2,4-dione
hmdb:HMDB0060866
FEEKFEKCXIDMIS-UHFFFAOYSA-N 		Phenytoin dihydrodiol
5-(3,4-Dihydroxy-1,5-cyclohexadien-1-yl)-5-phenylhydantoin
5-(3,4-Dihydroxy-1,5-cyclohexadien-1-yl)-5-phenylhydantoin, (3R-(1(r*),3alpha,4beta))-isomer
5-(3,4-Dihydroxy-1,5-cyclohexadien-1-yl)-5-phenylhydantoin, (3R-(1(s*),3alpha,4beta))-isomer
5-(3,4-dihydroxycyclohexa-1,5-dien-1-yl)-5-phenylimidazolidine-2,4-dione
5-DCYPH

hmdb:HMDB13895
hmdb:HMDB60866 		secondary/obsolete/fantasy identifier