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6-hydroxydeoxybrevianamide E

MNXM147863 is deprecated and replaced by MNXM1100834
PropertiesImage
MNX_IDMNXM1100834 Image of MNXM1100834
referencechebi:145682
formulaC21H25N3O3
global charge0
mol weight367.449
InChIKeyDHOZDQLRUFUUQZ-IRXDYDNUSA-N
InChIInChI=1S/C21H25N3O3/c1-4-21(2,3)18-14(13-8-7-12(25)10-15(13)22-18)11-16-20(27)24-9-5-6-17(24)19(26)23-16/h4,7-8,10,16-17,22,25H,1,5-6,9,11H2,2-3H3,(H,23,26)/t16-,17-/m0/s1
SMILESC=CC(C)(C)C1=C(C[C@@H]2NC(=O)[C@@H]3CCCN3C2=O)C2=C(C=C(O)C=C2)N1
MNX internals
InChI (mnx)InChI=1/C21H25N3O3/c1-4-21(2,3)18-14(13-8-7-12(25)10-15(13)22-18)11-16-20(27)24-9-5-6-17(24)19(26)23-16/h4,7-8,10,16-17,22,25H,1,5-6,9,11H2,2-3H3,(H,23,26)/t16-,17-/m0/s1 Image of MNXM1100834
SMILES (mnx)[CH2:1]=[CH:4][C:21]([CH3:2])([CH3:3])[C:18]1=[C:14]([CH2:11][C@H:16]2[C:20](=[O:27])[N:24]3[CH2:9][CH2:5][CH2:6][C@H:17]3[C:19]([OH:26])=[N:23]2)[C:13]2=[C:15]([CH:10]=[C:12]([OH:25])[CH:7]=[CH:8]2)[NH:22]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:145682
chebi:145682
DHOZDQLRUFUUQZ-IRXDYDNUSA-N 		6-hydroxydeoxybrevianamide E

metacyc.compound:CPD-17356
metacycM:CPD-17356
seed.compound:cpd35017
seedM:cpd35017
DHOZDQLRUFUUQZ-IRXDYDNUSA-N 		6-hydroxy-deoxybrevianamide E

seedM:M_cpd35017 		secondary/obsolete/fantasy identifier