HMDB0037701 RDKit 3D Isopropyl cinnamate 28 28 0 0 0 0 0 0 0 0999 V2000 2.6146 0.6344 -1.1404 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4378 -0.4901 -0.1139 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3586 -1.7827 -0.9319 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2272 -0.2366 0.5463 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -0.0472 1.8731 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1671 -0.1229 2.5422 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1107 0.2027 2.6506 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3118 0.3765 2.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7191 0.3744 0.8497 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9961 -0.1562 0.5486 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5475 -0.1110 -0.6914 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8865 0.4635 -1.7485 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6493 0.9936 -1.5124 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1014 0.9394 -0.2343 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6306 1.6189 -0.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5221 0.4666 -1.7346 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7421 0.6089 -1.8207 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3045 -0.5303 0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1663 -1.8035 -1.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4814 -2.6771 -0.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3481 -1.8070 -1.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0284 0.2557 3.7808 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1418 0.5511 2.9922 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5490 -0.6222 1.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5306 -0.5234 -0.9095 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3198 0.5007 -2.7369 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0536 1.4670 -2.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1615 1.4567 -0.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 3 21 1 0 7 22 1 0 8 23 1 0 10 24 1 0 11 25 1 0 12 26 1 0 13 27 1 0 14 28 1 0 M END