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(+-)-pavine

PropertiesImage
MNX_IDMNXM146321 Image of MNXM146321
referencechebi:76921
formulaC20H24NO4
global charge1
mol weight342.415
InChIKeySRSPZLZVGPJHJH-UHFFFAOYSA-O
InChIInChI=1S/C20H23NO4/c1-22-17-7-11-5-15-14-10-20(25-4)18(23-2)8-12(14)6-16(21-15)13(11)9-19(17)24-3/h7-10,15-16,21H,5-6H2,1-4H3/p+1
SMILESCOC1=CC2=C(C=C1OC)C1CC3=C(C=C(OC)C(OC)=C3)C(C2)[NH2+]1
MNX internals
InChI (mnx)InChI=1/C20H23NO4/c1-22-17-7-11-5-15-14-10-20(25-4)18(23-2)8-12(14)6-16(21-15)13(11)9-19(17)24-3/h7-10,15-16,21H,5-6H2,1-4H3/t15?,16? Image of MNXM146321
SMILES (mnx)[CH3:1][O:22][C:17]1=[C:19]([O:24][CH3:3])[CH:9]=[C:13]2[C:11](=[CH:7]1)[CH2:5][CH:15]1[C:14]3=[CH:10][C:20]([O:25][CH3:4])=[C:18]([O:23][CH3:2])[CH:8]=[C:12]3[CH2:6][CH:16]2[NH:21]1
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

CHEBI:76921
chebi:76921
SRSPZLZVGPJHJH-UHFFFAOYSA-O 		(+-)-pavine
2,3,8,9-tetramethoxy-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulenium
pavine(1+)

kegg.compound:C20771
keggC:C20771
SRSPZLZVGPJHJH-UHFFFAOYSA-N 		(+/-)-Pavine

seed.compound:cpd31337
seedM:cpd31337
SRSPZLZVGPJHJH-UHFFFAOYSA-O 		(+/-)-Pavine
((+/-))-pavine
2,3,8,9-tetramethoxy-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene

CHEBI:77051
chebi:77051
SRSPZLZVGPJHJH-UHFFFAOYSA-N 		2,3,8,9-tetramethoxy-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene
pavine

sabiork.compound:31384
sabiorkM:31384
SRSPZLZVGPJHJH-UHFFFAOYSA-N 		Pavine
(+/-)-Pavine

CHEBI:77048
chebi:77048
SRSPZLZVGPJHJH-UHFFFAOYSA-N 		pavine
(+-)-pavine
(5RS,11RS)-2,3,8,9-tetramethoxy-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene
rac-(5R,11R)-2,3,8,9-tetramethoxy-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene
rac-pavine
racemic pavine

metacyc.compound:CPD-16445
metacycM:CPD-16445
SRSPZLZVGPJHJH-UHFFFAOYSA-O 		pavine
(+/-)-pavine
(5RS,11RS)-2,3,8,9-tetramethoxy-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene

keggC:M_C20771
seedM:M_cpd31337 		secondary/obsolete/fantasy identifier