46937045 -OEChem-10051720553D 30 32 0 1 0 0 0 0 0999 V2000 -1.2070 2.4461 0.0162 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0262 -2.3528 0.2535 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4369 -1.6435 -0.5884 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0189 2.1607 -0.6072 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1470 -0.3411 1.1476 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0496 0.3965 0.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3476 -0.5498 0.2326 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 0.0034 0.2245 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5645 0.3284 2.4682 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8099 1.1505 -0.4538 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1842 1.7814 -0.0487 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4783 0.2137 0.0427 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9413 -1.1939 0.4717 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2208 1.0200 -0.8718 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6077 -1.5899 -1.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2753 -0.4442 -0.9264 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2214 -1.2530 0.0683 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8605 -0.1323 -0.6092 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7893 -1.3432 1.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9644 1.3373 2.3206 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3381 -0.2611 2.9739 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7090 0.4070 3.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7461 -2.3779 -0.6615 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7136 1.1429 0.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4658 -2.0274 0.9752 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7013 1.8489 -1.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8600 -2.3690 -2.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2318 -0.1194 -1.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8979 -0.2496 -0.9078 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5035 -3.0346 0.7102 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 17 1 0 0 0 0 2 30 1 0 0 0 0 3 7 1 0 0 0 0 3 15 1 0 0 0 0 3 23 1 0 0 0 0 4 10 2 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 19 1 0 0 0 0 6 8 2 0 0 0 0 6 11 1 0 0 0 0 7 12 2 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 14 1 0 0 0 0 12 16 1 0 0 0 0 12 24 1 0 0 0 0 13 17 2 0 0 0 0 13 25 1 0 0 0 0 14 18 2 0 0 0 0 14 26 1 0 0 0 0 15 16 2 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 18 29 1 0 0 0 0 M END > DB07033 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VWQVBIPGKIAUGA-QMMMGPOBSA-N/SDF?record_type=3d > [H][C@](C)(C1=CC=CN1)C1=C2C=C(O)C=CC2=NC1=O > InChI=1S/C14H12N2O2/c1-8(11-3-2-6-15-11)13-10-7-9(17)4-5-12(10)16-14(13)18/h2-8,15,17H,1H3/t8-/m0/s1 > VWQVBIPGKIAUGA-QMMMGPOBSA-N > C14H12N2O2 > 240.2573 > 240.089877638 > 3 > 30 > -0.003885513982723894 > 25.07028471211753 > 1 > 2 > 0 > 1 > 5-hydroxy-3-[(1R)-1-(1H-pyrrol-2-yl)ethyl]-2H-indol-2-one > 1.64 > 1.286081164333333 > -3.21 > 0 > 0 > 3 > 0 > 17.505952277804116 > 9.408828870889543 > 0.4539030551404686 > 65.44999999999999 > 71.1374 > 2 > 1 > 1.48e-01 g/l > tetrahydrofolic acid > 0 $$$$