HMDB0033465 RDKit 3D Feruloyl-2-hydroxyputrescine 40 40 0 0 0 0 0 0 0 0999 V2000 -4.2484 -0.0566 -2.8475 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1412 0.1181 -1.7784 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6473 0.0560 -0.4882 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2838 -0.1764 -0.2569 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8343 -0.2307 1.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4385 -0.4676 1.3328 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4758 -0.6505 0.4597 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9208 -0.8859 0.8457 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2526 -0.9213 2.0678 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8912 -1.0722 -0.1402 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2702 -1.2990 0.1876 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8293 -0.1206 0.9266 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1927 -0.3418 1.2366 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7448 1.1359 0.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5086 1.0192 -1.1771 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8997 0.7581 -0.8516 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7387 -0.0548 2.0652 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0833 0.1743 1.8328 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5543 0.2323 0.5386 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9007 0.4610 0.2623 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7084 0.0813 -3.8345 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7774 -1.0577 -2.7987 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3892 0.6730 -2.7991 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6095 -0.3087 -1.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1238 -0.5030 2.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7101 -0.6288 -0.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6325 -1.0503 -1.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8437 -1.5155 -0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3321 -2.2174 0.8266 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2987 0.0001 1.8881 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4988 0.3497 1.8723 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7045 1.4677 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2371 1.9640 0.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3940 1.9587 -1.7583 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1291 0.1996 -1.7982 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4042 0.4668 -1.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3233 1.6540 -0.4747 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3556 -0.1026 3.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7560 0.3066 2.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5317 0.5850 1.0497 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 5 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 3 1 0 1 21 1 0 1 22 1 0 1 23 1 0 4 24 1 0 6 25 1 0 7 26 1 0 10 27 1 0 11 28 1 0 11 29 1 0 12 30 1 0 13 31 1 0 14 32 1 0 14 33 1 0 15 34 1 0 15 35 1 0 16 36 1 0 16 37 1 0 17 38 1 0 18 39 1 0 20 40 1 0 M END