HMDB0039506 RDKit 3D N-Salicyloylaspartic acid 29 29 0 0 0 0 0 0 0 0999 V2000 4.6539 -0.3687 0.5875 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0184 0.6516 0.8718 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6916 1.7166 1.4563 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5939 0.8018 0.6273 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9221 -0.3557 -0.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5071 0.0582 -0.1638 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5077 -0.6369 0.5288 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1723 -1.6251 1.2246 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9063 -0.2408 0.4553 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3291 0.8385 -0.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6617 1.2202 -0.3637 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5823 0.4824 0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2135 -0.5996 1.1035 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8823 -0.9389 1.1429 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4764 -2.0434 1.9122 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 -0.6239 -1.4288 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6686 -0.4581 -2.4108 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7192 -1.0492 -1.6884 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0623 2.4889 0.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0769 0.8455 1.6354 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3919 1.7648 0.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0416 -1.2374 0.5857 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3274 0.8755 -0.7559 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6296 1.4349 -0.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0084 2.0601 -0.9421 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6438 0.7428 0.3213 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9418 -1.1856 1.6656 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1453 -2.5724 2.4226 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9879 -2.0462 -1.6711 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 5 16 1 0 16 17 2 0 16 18 1 0 14 9 1 0 3 19 1 0 4 20 1 0 4 21 1 0 5 22 1 0 6 23 1 0 10 24 1 0 11 25 1 0 12 26 1 0 13 27 1 0 15 28 1 0 18 29 1 0 M END