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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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isolapidilectine A
Properties
Image
Occurences in reactions
MNX_ID
MNXM105824
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
24
H
28
N
2
O
6
charge
0
mass
440.19474
reference
chebi:68091
InChIKey
YLBUDFTWGUSIKB-SFUZCSOBSA-N
InChI
InChI=1S/C24H28N2O6/c1-30-19(27)17-15-22-9-6-13-25(22)14-12-23(20(28)31-2)16-7-4-5-8-18(16)26(21(29)32-3)24(17,23)11-10-22/h4-9,17H,10-15H2,1-3H3/t17-,22-,23-,24-/m1/s1
SMILES
COC(=O)[C@H]1C[C@]23C=CCN2CC[C@]2(C(=O)OC)c4ccccc4N(C(=O)OC)[C@]12CC3
Parent-child relations graph
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Similar chemical compounds in external resources
Identifier
Description
CHEBI:68091
chebi:68091
isolapidilectine A
Trimethyl (1R,9S,16R,18S)-2,12-diazapentacyclo[14.2.2.0[1,9].0[3,8].0[12,16]]icosa-3,5,7,14-tetraene-2,9,18-tricarboxylate