447411 -OEChem-10051720263D 38 40 0 0 0 0 0 0 0999 V2000 -1.4453 1.7903 2.0145 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4578 0.2338 -2.4221 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2992 1.7358 -1.1697 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2789 3.5527 2.0051 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5603 2.3792 0.5039 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4519 0.3665 0.3963 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6310 0.2082 -0.4769 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8032 -0.4607 -0.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8657 -0.5894 -1.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5073 -0.6371 0.4487 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5082 0.7429 -1.7599 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9443 -1.0048 1.1986 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7247 -0.0456 -2.3016 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5850 -0.5040 -0.3785 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5529 0.6159 -2.6706 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0379 -1.2584 -0.6263 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3410 -1.6607 1.3395 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5326 1.5123 1.2436 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1161 -1.6661 1.5674 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1610 -1.7926 0.6567 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5827 -1.4764 -0.3108 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3387 -2.6333 1.4071 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4595 -2.5411 0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7457 0.5960 -1.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5623 2.5367 1.1776 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3531 1.2936 -2.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 -0.8425 1.9824 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5291 -0.1313 -3.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4607 1.0383 -3.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8678 -1.3681 -1.3212 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5170 -1.7496 2.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2231 -2.0601 2.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0753 -2.3023 0.9464 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4752 -1.4264 -0.9291 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2489 -3.4565 2.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2389 -3.2954 0.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5601 0.9788 -3.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9862 4.2323 2.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 24 1 0 0 0 0 2 37 1 0 0 0 0 3 24 2 0 0 0 0 4 25 1 0 0 0 0 4 38 1 0 0 0 0 5 25 2 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 13 1 0 0 0 0 9 16 2 0 0 0 0 10 14 1 0 0 0 0 10 17 2 0 0 0 0 11 15 1 0 0 0 0 11 26 1 0 0 0 0 12 19 1 0 0 0 0 12 27 1 0 0 0 0 13 15 2 0 0 0 0 13 28 1 0 0 0 0 14 21 2 0 0 0 0 14 24 1 0 0 0 0 15 29 1 0 0 0 0 16 20 1 0 0 0 0 16 30 1 0 0 0 0 17 22 1 0 0 0 0 17 31 1 0 0 0 0 18 25 1 0 0 0 0 19 20 2 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 21 23 1 0 0 0 0 21 34 1 0 0 0 0 22 23 2 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 M END > DB03982 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WQWCUHJIERBOSM-UHFFFAOYSA-N/SDF?record_type=3d > OC(=O)C(=O)N(C1=CC=CC=C1C(O)=O)C1=CC=CC2=C1C=CC=C2 > InChI=1S/C19H13NO5/c21-17(19(24)25)20(16-10-4-3-9-14(16)18(22)23)15-11-5-7-12-6-1-2-8-13(12)15/h1-11H,(H,22,23)(H,24,25) > WQWCUHJIERBOSM-UHFFFAOYSA-N > C19H13NO5 > 335.3102 > 335.079372531 > 5 > 38 > -1.9996907487616657 > 32.282194088735594 > 1 > 2 > 0 > 1 > 2-[1-carboxy-N-(naphthalen-1-yl)formamido]benzoic acid > 3.06 > 3.339634510333333 > -4.60 > 0 > -2 > 3 > -2 > 3.5028986340109904 > 2.518037399112767 > -6.664858419910513 > 94.91000000000001 > 89.31580000000002 > 4 > 1 > 8.42e-03 g/l > biotin > 0 $$$$