HMDB0032616 RDKit 3D Sinapic acid 28 28 0 0 0 0 0 0 0 0999 V2000 -1.4704 3.9531 -0.1403 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1934 2.7505 -0.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4855 1.5485 -0.1443 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1109 1.5164 -0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5648 0.2945 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0129 0.3261 0.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7639 -0.7564 0.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2215 -0.6209 0.2979 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8024 0.4838 0.3445 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0029 -1.7620 0.3574 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1617 -0.8714 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5498 -0.8729 -0.1521 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2781 -2.0321 -0.2103 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7786 -3.3252 -0.1728 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1728 0.3540 -0.1992 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5684 0.3441 -0.3080 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1474 4.8278 -0.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8270 3.9900 -1.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8364 3.9131 0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4442 2.4432 0.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5516 1.2877 0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3129 -1.7379 0.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6456 -2.6692 0.6294 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3225 -1.8397 -0.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5900 -3.9827 0.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4392 -3.7185 -1.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 -3.3643 0.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1137 -0.4798 -0.3515 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 5 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 12 15 2 0 15 16 1 0 15 3 1 0 1 17 1 0 1 18 1 0 1 19 1 0 4 20 1 0 6 21 1 0 7 22 1 0 10 23 1 0 11 24 1 0 14 25 1 0 14 26 1 0 14 27 1 0 16 28 1 0 M END