119404 -OEChem-10051720363D 35 37 0 1 0 0 0 0 0999 V2000 -1.6519 2.5266 -0.4919 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8984 -2.7674 -0.4566 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7803 -0.8330 0.8513 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7683 0.5807 0.0840 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6677 -0.8258 -0.6791 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6904 -0.7633 0.6391 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1378 -1.2399 0.6461 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1321 1.0780 0.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9200 0.0548 0.8577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 0.4978 -0.1408 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6458 1.3236 -0.2441 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7611 -1.5654 -0.2472 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7900 1.1437 -0.8876 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1226 0.6163 -0.4232 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7796 1.2472 0.6233 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6720 -0.4932 -1.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0132 0.7582 1.0531 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9056 -0.9824 -0.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5763 -0.3566 0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2756 -0.6996 1.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3296 -1.9785 1.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4154 -1.6895 -0.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4519 1.0997 -0.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1895 2.0902 0.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9636 -0.0194 0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9039 0.3241 1.9207 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1393 0.3822 0.9272 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0334 -1.3111 -1.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7919 2.2321 -0.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 1.0012 -1.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3484 2.1143 1.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -0.9841 -1.8753 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 1.2544 1.8733 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3403 -1.8498 -1.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0996 -0.2803 1.5853 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 12 2 0 0 0 0 3 19 1 0 0 0 0 3 35 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 20 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 27 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 31 1 0 0 0 0 16 18 2 0 0 0 0 16 32 1 0 0 0 0 17 19 2 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 M END > DB04520 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LSGOTAXPWMCUCK-RYUDHWBXSA-N/SDF?record_type=3d > [H][C@@]12CCCN1C(=O)[C@]([H])(CC1=CC=C(O)C=C1)NC2=O > InChI=1S/C14H16N2O3/c17-10-5-3-9(4-6-10)8-11-14(19)16-7-1-2-12(16)13(18)15-11/h3-6,11-12,17H,1-2,7-8H2,(H,15,18)/t11-,12-/m0/s1 > LSGOTAXPWMCUCK-RYUDHWBXSA-N > C14H16N2O3 > 260.2884 > 260.116092388 > 3 > 35 > -0.0032709489362055225 > 26.77161441378754 > 1 > 2 > 0 > 1 > (3S,8aS)-3-[(4-hydroxyphenyl)methyl]-octahydropyrrolo[1,2-a]pyrazine-1,4-dione > 0.44 > 0.5523886290000003 > -1.37 > 0 > 0 > 3 > 0 > 11.36828125993004 > 9.489836669811092 > -4.0429313376323375 > 69.64 > 68.88380000000001 > 2 > 1 > 1.12e+01 g/l > tetrahydrofolic acid > 0 $$$$