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K252b

PropertiesImage
MNX_IDMNXM11931 Image of MNXM11931
referencemetacycM:CPD-11889
formulaC26H19N3O5
global charge0
mol weight453.454
InChIKeyAMSOPBXQXSAAAC-WOPPVIIVSA-N
InChIInChI=1S/C26H19N3O5/c1-25-26(33,24(31)32)10-17(34-25)28-15-8-4-2-6-12(15)19-20-14(11-27-23(20)30)18-13-7-3-5-9-16(13)29(25)22(18)21(19)28/h2-9,17,33H,10-11H2,1H3,(H,27,30)(H,31,32)/t17?,25-,26+/m0/s1
SMILESC[C@]12OC(C[C@@]1(O)C(=O)O)N1C3=CC=CC=C3C3=C4C(=O)NCC4=C4C5=C(C=CC=C5)N2C4=C31
MNX internals
InChI (mnx)InChI=1/C26H19N3O5/c1-25-26(33,24(31)32)10-17(34-25)28-15-8-4-2-6-12(15)19-20-14(11-27-23(20)30)18-13-7-3-5-9-16(13)29(25)22(18)21(19)28/h2-9,17,33H,10-11H2,1H3,(H,27,30)(H,31,32)/t17?,25-,26+/m0/s1 Image of MNXM11931
SMILES (mnx)[CH3:1][C@:25]12[C@@:26]([C:24](=[O:31])[OH:32])([OH:33])[CH2:10][CH:17]([N:28]3[C:15]4=[CH:8][CH:4]=[CH:2][CH:6]=[C:12]4[C:19]4=[C:20]5[C:14](=[C:18]6[C:13]7=[CH:7][CH:3]=[CH:5][CH:9]=[C:16]7[N:29]1[C:22]6=[C:21]43)[CH2:11][N:27]=[C:23]5[OH:30])[O:34]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-11889
metacycM:CPD-11889
AMSOPBXQXSAAAC-WOPPVIIVSA-N 		K252b
K-252b

seed.compound:cpd23127
seedM:cpd23127
AMSOPBXQXSAAAC-WOPPVIIVSA-M 		K-252b
K252b

seedM:M_cpd23127 		secondary/obsolete/fantasy identifier