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ardeemin

PropertiesImage
MNX_IDMNXM148084 Image of MNXM148084
referencemetacycM:CPD-16985
formulaC26H26N4O2
global charge0
mol weight426.52
InChIKeyDNOJISVGBFLJOQ-KEASDZFMSA-N
InChIInChI=1S/C26H26N4O2/c1-5-25(3,4)26-14-20-21-27-18-12-8-6-10-16(18)23(32)29(21)15(2)22(31)30(20)24(26)28-19-13-9-7-11-17(19)26/h5-13,15,20,24,28H,1,14H2,2-4H3/t15-,20+,24?,26-/m1/s1
SMILESC=CC(C)(C)[C@@]12C[C@H]3C4=NC5=CC=CC=C5C(=O)N4[C@H](C)C(=O)N3C1NC1=CC=CC=C12
MNX internals
InChI (mnx)InChI=1/C26H26N4O2/c1-5-25(3,4)26-14-20-21-27-18-12-8-6-10-16(18)23(32)29(21)15(2)22(31)30(20)24(26)28-19-13-9-7-11-17(19)26/h5-13,15,20,24,28H,1,14H2,2-4H3/t15-,20+,24?,26-/m1/s1 Image of MNXM148084
SMILES (mnx)[CH2:1]=[CH:5][C:25]([CH3:3])([CH3:4])[C@@:26]12[CH2:14][C@H:20]3[C:21]4=[N:27][C:18]5=[CH:12][CH:8]=[CH:6][CH:10]=[C:16]5[C:23](=[O:32])[N:29]4[C@H:15]([CH3:2])[C:22](=[O:31])[N:30]3[CH:24]1[NH:28][C:19]1=[CH:13][CH:9]=[CH:7][CH:11]=[C:17]12
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-16985
metacycM:CPD-16985
seed.compound:cpd35524
seedM:cpd35524
DNOJISVGBFLJOQ-KEASDZFMSA-N 		ardeemin

seedM:M_cpd35524 		secondary/obsolete/fantasy identifier