HMDB0254615 RDKit 3D Methyl syringate 27 27 0 0 0 0 0 0 0 0999 V2000 -4.0155 -1.5654 0.6148 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8902 -0.7513 0.3516 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6394 -1.3080 0.2803 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5414 -2.5508 0.4564 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4401 -0.5083 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5752 0.8552 -0.1797 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5711 1.5800 -0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5012 2.9467 -0.6304 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7230 3.6358 -0.5825 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8103 0.9375 -0.4888 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9629 1.6719 -0.7435 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9395 -0.4122 -0.3005 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1937 -0.9979 -0.3677 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4590 -2.3522 -0.1953 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 -1.1329 -0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8163 -2.3331 1.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3874 -2.0232 -0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8377 -0.8649 0.9452 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5535 1.3072 -0.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5414 3.1122 -1.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9701 3.9272 0.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5719 4.6075 -1.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8951 2.6839 -0.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7373 -2.7483 0.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3418 -2.9775 -1.0828 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4674 -2.5422 0.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8322 -2.1971 0.1075 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 3 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 7 10 2 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 12 15 2 0 15 5 1 0 1 16 1 0 1 17 1 0 1 18 1 0 6 19 1 0 9 20 1 0 9 21 1 0 9 22 1 0 11 23 1 0 14 24 1 0 14 25 1 0 14 26 1 0 15 27 1 0 M END