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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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Colletotrialide, (+)-
Properties
Image
Occurences in reactions
MNX_ID
MNXM103979
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
16
H
20
O
6
charge
0
mass
308.12599
reference
chebi:70153
InChIKey
ZMZJTAURJHTVMU-LLVKDONJSA-N
InChI
InChI=1S/C16H20O6/c1-4-5-9(17)6-7-11-10-8-12(20-2)15(21-3)14(18)13(10)16(19)22-11/h8,11,18H,4-7H2,1-3H3/t11-/m1/s1
SMILES
CCCC(=O)CC[C@H]1OC(=O)c2c1cc(OC)c(OC)c2O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
CHEBI:70153
chebi:70153
Colletotrialide, (+)-
(+)-(3R)-7-hydroxy-5,6-dimethoxy-3-(3-oxohexyl)-3H-2-benzofuran-1-one