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3'-N'-Acetylfusarochromanone

PropertiesImage
MNX_IDMNXM117169 Image of MNXM117169
referencechebi:175263
formulaC17H22N2O5
global charge0
mol weight334.372
InChIKeyVXRAAUKUZQYZRW-UHFFFAOYSA-N
InChIInChI=1S/C17H22N2O5/c1-9(21)19-10(8-20)6-12(22)11-4-5-14-15(16(11)18)13(23)7-17(2,3)24-14/h4-5,10,20H,6-8,18H2,1-3H3,(H,19,21)
SMILESCC(=O)NC(CO)CC(=O)C1=C(N)C2=C(C=C1)OC(C)(C)CC2=O
MNX internals
InChI (mnx)InChI=1/C17H22N2O5/c1-9(21)19-10(8-20)6-12(22)11-4-5-14-15(16(11)18)13(23)7-17(2,3)24-14/h4-5,10,20H,6-8,18H2,1-3H3,(H,19,21)/t10? Image of MNXM117169
SMILES (mnx)[CH3:1][C:9](=[N:19][CH:10]([CH2:6][C:12]([C:11]1=[C:16]([NH2:18])[C:15]2=[C:14]([CH:5]=[CH:4]1)[O:24][C:17]([CH3:2])([CH3:3])[CH2:7][C:13]2=[O:23])=[O:22])[CH2:8][OH:20])[OH:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:175263
chebi:175263
VXRAAUKUZQYZRW-UHFFFAOYSA-N 		3'-N'-Acetylfusarochromanone
N-[4-(5-amino-2,2-dimethyl-4-oxo-3H-chromen-6-yl)-1-hydroxy-4-oxobutan-2-yl]acetamide
hmdb:HMDB0037499
VXRAAUKUZQYZRW-UHFFFAOYSA-N 		3'-N'-Acetylfusarochromanone
N-[4-(5-Amino-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl)-1-hydroxy-4-oxobutan-2-yl]ethanimidate
N-[4-(5-amino-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl)-1-hydroxy-4-oxobutan-2-yl]acetamide
N-[4-(5-amino-2,2-dimethyl-4-oxo-3H-1-benzopyran-6-yl)-1-hydroxy-4-oxobutan-2-yl]acetamide
TDP 2
TDP-2

hmdb:HMDB37499 		secondary/obsolete/fantasy identifier