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K252d

PropertiesImage
MNX_IDMNXM18797 Image of MNXM18797
referencemetacycM:CPD-11888
formulaC26H23N3O5
global charge0
mol weight457.486
InChIKeyFYQXRIMLEOPQQP-KBUURLSPSA-N
InChIInChI=1S/C26H23N3O5/c1-11-22(30)23(31)24(32)26(34-11)29-16-9-5-3-7-13(16)18-19-14(10-27-25(19)33)17-12-6-2-4-8-15(12)28-20(17)21(18)29/h2-9,11,22-24,26,28,30-32H,10H2,1H3,(H,27,33)/t11-,22-,23+,24+,26?/m0/s1
SMILESC[C@@H]1OC(N2C3=CC=CC=C3C3=C4C(=O)NCC4=C4C5=CC=CC=C5NC4=C32)[C@H](O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C26H23N3O5/c1-11-22(30)23(31)24(32)26(34-11)29-16-9-5-3-7-13(16)18-19-14(10-27-25(19)33)17-12-6-2-4-8-15(12)28-20(17)21(18)29/h2-9,11,22-24,26,28,30-32H,10H2,1H3,(H,27,33)/t11-,22-,23+,24+,26?/m0/s1 Image of MNXM18797
SMILES (mnx)[CH3:1][C@H:11]1[C@H:22]([OH:30])[C@@H:23]([OH:31])[C@@H:24]([OH:32])[CH:26]([N:29]2[C:16]3=[CH:9][CH:5]=[CH:3][CH:7]=[C:13]3[C:18]3=[C:19]4[C:14](=[C:17]5[C:12]6=[CH:6][CH:2]=[CH:4][CH:8]=[C:15]6[NH:28][C:20]5=[C:21]32)[CH2:10][N:27]=[C:25]4[OH:33])[O:34]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-11888
metacycM:CPD-11888
FYQXRIMLEOPQQP-KBUURLSPSA-N 		K252d
K-252d

seed.compound:cpd23126
seedM:cpd23126
FYQXRIMLEOPQQP-KBUURLSPSA-N 		K-252d
K252d

seedM:M_cpd23126 		secondary/obsolete/fantasy identifier