Ketcher 12121713502D 1 1.00000 0.00000 0 54 58 0 0 0 999 V2000 25.1540 -16.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7445 -19.9166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9394 -15.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9407 -20.3961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7289 -13.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4402 -12.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3984 -13.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1098 -11.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5154 -16.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8108 -18.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9402 -16.9347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9406 -18.6620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9821 -18.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7203 -16.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7497 -13.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7058 -17.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4408 -17.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0889 -12.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9818 -17.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0298 -16.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4299 -16.9305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7252 -18.5144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9398 -16.9350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9402 -18.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7914 -16.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5348 -17.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4400 -17.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4417 -17.7947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0803 -14.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7584 -11.3612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6866 -15.7099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4492 -18.3327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4396 -17.7956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1012 -14.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2395 -16.3420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8300 -19.5098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4395 -16.0749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4404 -19.5293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0302 -18.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3898 -15.2889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9461 -16.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9460 -16.9357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4459 -16.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9456 -15.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4521 -16.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4457 -17.7960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9520 -15.2085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4517 -16.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4517 -14.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9514 -15.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4513 -14.3419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9510 -15.2093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4512 -16.0763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9511 -13.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 2 36 1 0 0 0 3 37 1 0 0 0 4 38 1 0 0 0 5 7 1 0 0 0 5 15 2 0 0 0 6 8 2 0 0 0 6 15 1 0 0 0 7 18 2 0 0 0 8 18 1 0 0 0 9 16 2 0 0 0 9 21 1 0 0 0 10 16 1 0 0 0 10 22 2 0 0 0 11 17 2 0 0 0 11 23 1 0 0 0 12 17 1 0 0 0 12 24 2 0 0 0 13 19 1 0 0 0 13 39 1 0 0 0 14 20 1 0 0 0 14 40 1 0 0 0 15 29 1 0 0 0 16 25 1 0 0 0 17 28 1 0 0 0 18 30 1 0 0 0 19 20 1 0 0 0 19 25 1 0 0 0 20 28 1 0 0 0 21 26 2 0 0 0 21 35 1 0 0 0 22 26 1 0 0 0 22 36 1 0 0 0 23 27 2 0 0 0 23 37 1 0 0 0 24 27 1 0 0 0 24 38 1 0 0 0 25 31 1 0 0 0 26 32 1 0 0 0 27 33 1 0 0 0 28 39 1 0 0 0 29 34 2 0 0 0 29 40 1 0 0 0 33 41 1 0 0 0 41 42 1 0 0 0 41 43 1 0 0 0 43 44 1 0 0 0 42 45 1 0 0 0 42 46 1 0 0 0 47 45 1 0 0 0 48 45 2 0 0 0 49 47 2 0 0 0 50 48 1 0 0 0 51 49 1 0 0 0 51 50 2 0 0 0 50 52 1 0 0 0 52 53 1 0 0 0 51 54 1 0 0 0 M END > CHEBI:139293 > G(8–O–4)SP(8–8)S > 2 > C39H44O15 > 752.759 > 752.26802 > 0 > COC=1C=C(C=C(C1O)OC)C(C2COC(C3=CC(=C(C(=C3)OC)OC(C(C=4C=CC(=C(C4)OC)O)O)CO)OC)C2COC(C5=CC=C(C=C5)O)=O)O > InChI=1S/C39H44O15/c1-47-28-12-21(8-11-27(28)42)35(44)33(17-40)54-38-31(50-4)15-23(16-32(38)51-5)37-26(19-53-39(46)20-6-9-24(41)10-7-20)25(18-52-37)34(43)22-13-29(48-2)36(45)30(14-22)49-3/h6-16,25-26,33-35,37,40-45H,17-19H2,1-5H3 > SJFYPGOALYKRON-UHFFFAOYSA-N $$$$