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demethoxyfumitremorgin C

MNXM124295 is deprecated and here replaced by MNXM1100610
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1100610 Image of MNXM1100610
referencechebi:72767
formulaC21H23N3O2
global charge0
mol weight349.434
InChIKeyLQXCSIKDOISJTI-BZSNNMDCSA-N
InChIInChI=1S/C21H23N3O2/c1-12(2)10-17-19-14(13-6-3-4-7-15(13)22-19)11-18-20(25)23-9-5-8-16(23)21(26)24(17)18/h3-4,6-7,10,16-18,22H,5,8-9,11H2,1-2H3/t16-,17-,18-/m0/s1
SMILESCC(C)=C[C@H]1C2=C(C[C@H]3C(=O)N4CCC[C@H]4C(=O)N13)C1=C(C=CC=C1)N2
MNX internals
InChI (mnx)InChI=1/C21H23N3O2/c1-12(2)10-17-19-14(13-6-3-4-7-15(13)22-19)11-18-20(25)23-9-5-8-16(23)21(26)24(17)18/h3-4,6-7,10,16-18,22H,5,8-9,11H2,1-2H3/t16-,17-,18-/m0/s1 Image of MNXM1100610
SMILES (mnx)[CH3:1][C:12]([CH3:2])=[CH:10][C@H:17]1[C:19]2=[C:14]([CH2:11][C@H:18]3[C:20](=[O:25])[N:23]4[CH2:9][CH2:5][CH2:8][C@H:16]4[C:21](=[O:26])[N:24]13)[C:13]1=[CH:6][CH:3]=[CH:4][CH:7]=[C:15]1[NH:22]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

CHEBI:72767
chebi:72767
LQXCSIKDOISJTI-BZSNNMDCSA-N 		demethoxyfumitremorgin C
(5aS,12S,14aS)-12-(2-methylprop-1-en-1-yl)-1,2,3,5a,6,11,12,14a-octahydro-5H,14H-pyrrolo[1'',2'':4',5']pyrazino[1',2':1,6]pyrido[3,4-b]indole-5,14-dione

seed.compound:cpd33241
seedM:cpd33241
LQXCSIKDOISJTI-BZSNNMDCSA-N 		demethoxyfumitremorgin C

metacyc.compound:CPD-15267
metacycM:CPD-15267
LQXCSIKDOISJTI-BZSNNMDCSA-N 		demethoxyfumitremorgin C
lanosulin

seedM:M_cpd33241 		secondary/obsolete/fantasy identifier