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Agrocybenine

PropertiesImage
MNX_IDMNXM118872 Image of MNXM118872
referencechebi:172449
formulaC12H18N2O
global charge0
mol weight206.289
InChIKeyOTBGQBSPIWKINO-UHFFFAOYSA-N
InChIInChI=1S/C12H18N2O/c1-7-9-8(6-11(2,3)14-9)13-12(4,5)10(7)15/h14H,6H2,1-5H3
SMILESCC1=C2NC(C)(C)CC2=NC(C)(C)C1=O
MNX internals
InChI (mnx)InChI=1/C12H18N2O/c1-7-9-8(6-11(2,3)14-9)13-12(4,5)10(7)15/h14H,6H2,1-5H3 Image of MNXM118872
SMILES (mnx)[CH3:1][C:7]1=[C:9]2[C:8](=[N:13][C:12]([CH3:4])([CH3:5])[C:10]1=[O:15])[CH2:6][C:11]([CH3:2])([CH3:3])[NH:14]2
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

CHEBI:172449
chebi:172449
OTBGQBSPIWKINO-UHFFFAOYSA-N 		Agrocybenine
2,2,5,5,7-pentamethyl-1,3-dihydropyrrolo[3,2-b]pyridin-6-one
hmdb:HMDB0041445
OTBGQBSPIWKINO-UHFFFAOYSA-N 		Agrocybenine
1,2,3,5-tetrahydro-2,2,5,5,7-Pentamethyl-6H-pyrrolo[2,3-b]pyridin-6-one, 9ci
2,2,5,5,7-pentamethyl-1H,2H,3H,5H,6H-pyrrolo[3,2-b]pyridin-6-one
2,2,5,5,7-pentamethyl-1H,3H-pyrrolo[3,2-b]pyridin-6-one

hmdb:HMDB41445 		secondary/obsolete/fantasy identifier