Marvin 08231323342D 33 35 0 0 0 0 999 V2000 13.8942 -8.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5617 -7.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4819 -6.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2269 -7.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9300 -6.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1230 -6.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8679 -7.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4199 -7.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8942 -8.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1797 -9.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4651 -8.8525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7507 -9.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7507 -10.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4650 -10.5025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1797 -10.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0361 -10.5023 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.0360 -11.3273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3216 -10.0898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5397 -5.7328 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 15.3587 -7.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3069 -6.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7918 -6.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6123 -6.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9478 -6.9306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0973 -5.5095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9178 -5.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4027 -4.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2232 -5.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7081 -4.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5286 -4.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0135 -3.7659 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 20.8341 -3.8522 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 19.6780 -3.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 21 2 0 0 0 0 21 3 1 0 0 0 0 1 4 1 0 0 0 0 5 3 2 0 0 0 0 4 3 1 0 0 0 0 8 4 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 1 9 2 0 0 0 0 9 10 1 0 0 0 0 15 10 2 0 0 0 0 11 10 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 13 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 6 19 1 0 0 0 0 2 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 25 1 0 0 0 0 23 24 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 32 31 1 0 0 0 0 33 31 2 0 0 0 0 30 31 1 0 0 0 0 M CHG 2 31 1 32 -1 M END > CHEBI:75321 > nitrosulindac > A carboxylic ester that is the 4-(nitrooxy)butyl ester of sulindac. A non-steroidal anti-inflammatory drug, which also has anticancer activity. > 3 > NCX 1102 > 4-(nitrooxy)butyl {(1Z)-5-fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1H-inden-3-yl}acetate > C24H24FNO6S > 473.51400 > 473.13084 > 0 > CC1=C(CC(=O)OCCCCO[N+]([O-])=O)c2cc(F)ccc2C\1=C/c1ccc(cc1)S(C)=O > InChI=1S/C24H24FNO6S/c1-16-21(13-17-5-8-19(9-6-17)33(2)30)20-10-7-18(25)14-23(20)22(16)15-24(27)31-11-3-4-12-32-26(28)29/h5-10,13-14H,3-4,11-12,15H2,1-2H3/b21-13- > CMZSMYLJISCEDU-BKUYFWCQSA-N > 10305661 > 11396974; 12438552; 15026549; 15305336; 15670893 $$$$