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dehydroscoulerine

PropertiesImage
MNX_IDMNXM17177 Image of MNXM17177
referencemetacycM:CPD-11852
formulaC19H18NO4
global charge1
mol weight324.356
InChIKeyDRAPVRZDBZHUPL-UHFFFAOYSA-O
InChIInChI=1S/C19H17NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,7-10,21H,5-6H2,1-2H3/p+1
SMILESCOC1=CC=C2C=C3C4=CC(O)=C(OC)C=C4CC[N+]3=CC2=C1O
MNX internals
InChI (mnx)InChI=1/C19H17NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,7-10,21H,5-6H2,1-2H3 Image of MNXM17177
SMILES (mnx)[CH3:1][O:23][C:17]1=[CH:4][CH:3]=[C:11]2[CH:7]=[C:15]3[C:13]4=[CH:9][C:16]([OH:21])=[C:18]([O:24][CH3:2])[CH:8]=[C:12]4[CH2:5][CH2:6][N:20]3[CH:10]=[C:14]2[C:19]1=[O:22]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-11852
metacycM:CPD-11852
seed.compound:cpd23109
seedM:cpd23109
DRAPVRZDBZHUPL-UHFFFAOYSA-N
DRAPVRZDBZHUPL-UHFFFAOYSA-O
dehydroscoulerine

seedM:M_cpd23109
secondary/obsolete/fantasy identifier