Mrv1652307301920012D 23 23 0 0 0 0 999 V2000 -7.8592 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 4.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 4.5375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 5.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 0 7 5 2 0 0 0 0 8 6 2 0 0 0 0 9 4 1 0 0 0 0 10 2 1 0 0 0 0 11 4 1 0 0 0 0 12 3 1 0 0 0 0 14 5 1 0 0 0 0 14 6 1 0 0 0 0 14 13 2 0 0 0 0 15 7 1 0 0 0 0 16 13 1 0 0 0 0 16 15 2 0 0 0 0 17 8 1 0 0 0 0 18 9 1 0 0 0 0 19 10 1 0 0 0 0 19 11 1 0 0 0 0 20 12 1 4 0 0 0 20 17 2 0 0 0 0 21 15 1 0 0 0 0 22 17 1 0 0 0 0 23 1 1 0 0 0 0 23 16 1 0 0 0 0 M END > FDB014347 > foodb > COC1=C(O)C=CC(\C=C\C(O)=NCCCCNCCCN)=C1 > InChI=1S/C17H27N3O3/c1-23-16-13-14(5-7-15(16)21)6-8-17(22)20-12-3-2-10-19-11-4-9-18/h5-8,13,19,21H,2-4,9-12,18H2,1H3,(H,20,22)/b8-6+ > NABYCXSHQMCCEZ-SOFGYWHQSA-N > C17H27N3O3 > 321.421 > 321.205241741 > 6 > 50 > 38.075331506746124 > 1 > 4 > 0 > 0 > (2E)-N-{4-[(3-aminopropyl)amino]butyl}-3-(4-hydroxy-3-methoxyphenyl)prop-2-enimidic acid > -1.133144953187272 > 0 > 1 > 2 > 9.87466925090214 > 4.723742784320096 > 10.61494176532062 > 100.10000000000001 > 93.79419999999999 > 11 > 1 > (2E)-N-{4-[(3-aminopropyl)amino]butyl}-3-(4-hydroxy-3-methoxyphenyl)prop-2-enimidic acid > 0 > FDB014347 > Feruloylspermidine $$$$