43 47 0 0000 0 0 0 0 0999 V2000 6.9854 -3.6608 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 13.1677 -1.9611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 14.1762 -1.9611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 12.0470 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 15.3342 -0.0187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 9.8057 -0.0187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 17.5942 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 2.2973 -5.2110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 1.1580 -3.2312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 12.0283 -3.9223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 15.3156 -3.9223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.9077 -4.5573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 16.4175 -4.5573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 12.0283 -2.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 15.3156 -2.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 13.8214 -4.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.7870 -3.9223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 17.5569 -3.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.9077 -1.9611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 16.4549 -1.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.7870 -2.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 17.5569 -2.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.9077 -5.8647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 16.4175 -5.8647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.9077 -0.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 16.4549 -0.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.6477 -4.5573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 18.6775 -4.5573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.7870 -6.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 17.5569 -6.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.6477 -5.8647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 18.6775 -5.8647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.2973 -3.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4367 -3.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.7340 -3.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.5760 -3.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1580 -5.8834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -5.2110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.7527 -1.9238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4553 -5.8834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.7699 -2.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.0228 -1.5316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 1 42 1 0 2 14 1 0 3 15 1 0 4 25 2 0 5 26 2 0 6 25 1 0 7 26 1 0 8 33 1 0 8 37 1 0 8 41 1 0 9 33 2 0 9 38 1 0 10 12 1 0 10 14 2 0 10 16 1 0 11 13 1 0 11 15 2 0 11 16 1 0 12 17 2 0 12 23 1 0 13 18 2 0 13 24 1 0 14 19 1 0 15 20 1 0 17 21 1 0 17 27 1 0 18 22 1 0 18 28 1 0 19 21 2 0 19 25 1 0 20 22 2 0 20 26 1 0 23 29 2 0 24 30 2 0 27 31 2 0 28 32 2 0 29 31 1 0 30 32 1 0 33 34 1 0 34 36 2 0 35 36 1 0 35 40 2 0 37 39 1 0 38 39 1 0 40 43 1 0 42 43 2 0 M END > InChI=1S/C23H16O6.C11H14N2S/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2,4-6,9H,3,7-8H2,1H3/b;6-5+ > AQXXZDYPVDOQEE-MXDQRGINSA-N > 1/1/N:31,32,29,30,27,28,23,24,21,22,16,17,18,12,13,10,11,19,20,14,15,25,26,2,3,4,6,5,7;41,43,39,40,36,34,38,37,42,35,33,9,8,1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27,28,29);/gE:(1,2);/rA:43nSOOOOOONNCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/rB:;;;;;;;;;;s10;s11;s2d10;s3d11;s10s11;d12;d13;s14;s15;s17d19;s18d20;s12;s13;d4s6s19;d5s7s20;s17;s18;d23;d24;d27s29;d28s30;s8d9;s33;s1;d34s35;s8;s9;s37s38;d35;s8;s1;s40d42;/rC:6.9854,-3.6608,0;13.1677,-1.9611,0;14.1762,-1.9611,0;12.047,0,0;15.3342,-.0187,0;9.8057,-.0187,0;17.5942,0,0;2.2973,-5.211,0;1.158,-3.2312,0;12.0283,-3.9223,0;15.3156,-3.9223,0;10.9077,-4.5573,0;16.4175,-4.5573,0;12.0283,-2.6149,0;15.3156,-2.6149,0;13.8214,-4.6881,0;9.787,-3.9223,0;17.5569,-3.9036,0;10.9077,-1.9611,0;16.4549,-1.9798,0;9.787,-2.6149,0;17.5569,-2.6149,0;10.9077,-5.8647,0;16.4175,-5.8647,0;10.9077,-.6537,0;16.4549,-.6537,0;8.6477,-4.5573,0;18.6775,-4.5573,0;9.787,-6.5185,0;17.5569,-6.5185,0;8.6477,-5.8647,0;18.6775,-5.8647,0;2.2973,-3.8849,0;3.4367,-3.2312,0;5.734,-3.2312,0;4.576,-3.8849,0;1.158,-5.8834,0;0,-3.8849,0;0,-5.211,0;5.7527,-1.9238,0;3.4553,-5.8834,0;7.7699,-2.6149,0;7.0228,-1.5316,0; > C34 H30 N2 O6 S > 594.6768 > S1C=CC=C1/C=C/C1=NCCCN1C.OC1C(C(O)=O)=CC2C=CC=CC=2C=1CC1=C(C(C(O)=O)=CC2C=CC=CC1=2)O > 4444501 $$$$