28876 -OEChem-10051722003D 39 41 0 0 0 0 0 0 0999 V2000 -1.8167 0.6271 0.0500 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 1.3194 0.0371 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2888 1.7851 0.4068 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7534 0.9280 -0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0727 -0.9856 -0.2904 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3541 0.4555 -0.1088 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7616 0.3636 0.6379 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7043 -1.9736 0.4767 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5341 -0.6917 1.6317 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6491 -1.6947 1.5636 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0380 1.9938 -1.0224 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8689 -1.3357 -1.2705 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0582 0.8981 0.5449 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3553 -3.3162 0.2502 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3331 2.4992 -1.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1892 -2.6735 -1.4894 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3434 1.9513 -0.3267 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5781 -3.6640 -0.7284 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8576 1.5791 0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1903 0.8476 0.2268 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5666 1.0872 0.4657 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1853 -0.6585 2.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6402 -2.4101 2.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2606 2.4334 -1.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 -0.5920 -1.9203 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8664 0.4990 1.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8109 -4.1127 0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5524 3.3206 -1.7854 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9071 -2.9426 -2.2584 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3533 2.3464 -0.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8273 -4.7081 -0.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7091 2.1234 1.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8246 2.2949 -0.6208 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3051 0.2843 -0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1764 0.1077 1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3017 2.4513 -0.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5994 0.3909 1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7674 0.5385 -0.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3722 1.8142 0.6078 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 2 6 2 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 3 36 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 11 2 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 12 2 0 0 0 0 7 9 1 0 0 0 0 7 13 2 0 0 0 0 8 10 1 0 0 0 0 8 14 2 0 0 0 0 9 10 2 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 11 15 1 0 0 0 0 11 24 1 0 0 0 0 12 16 1 0 0 0 0 12 25 1 0 0 0 0 13 17 1 0 0 0 0 13 26 1 0 0 0 0 14 18 1 0 0 0 0 14 27 1 0 0 0 0 15 17 2 0 0 0 0 15 28 1 0 0 0 0 16 18 2 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 M END > DB08998 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SEDQWOMFMIJKCU-UHFFFAOYSA-N/SDF?record_type=3d > CNCCON=C1C2=CC=CC=C2C=CC2=CC=CC=C12 > InChI=1S/C18H18N2O/c1-19-12-13-21-20-18-16-8-4-2-6-14(16)10-11-15-7-3-5-9-17(15)18/h2-11,19H,12-13H2,1H3 > SEDQWOMFMIJKCU-UHFFFAOYSA-N > C18H18N2O > 278.3483 > 278.141913208 > 3 > 39 > 0.9842892127700492 > 32.45219932691707 > 1 > 1 > 0 > 1 > methyl({2-[({tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ylidene}amino)oxy]ethyl})amine > 3.21 > 3.8222311663333324 > -5.00 > 0 > 1 > 3 > 1 > 8.791284451926222 > 33.620000000000005 > 87.05869999999999 > 4 > 1 > 2.81e-03 g/l > tetrahydrofolic acid > 1 $$$$