Marvin 03060917282D 47 50 0 0 0 0 999 V2000 5.6192 1.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7919 1.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3801 1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0331 1.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6251 0.3174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7966 0.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5032 -2.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4996 -3.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2131 -3.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9315 -3.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9315 -2.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2110 -4.2525 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4954 -4.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9243 -4.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4933 -5.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6399 -4.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3533 -4.6705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6420 -3.4312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7778 -5.8989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2067 -5.9026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7855 -3.4179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7819 -4.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 -5.4713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3468 -5.8781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6370 -5.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9218 -5.8648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9158 -6.6890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6309 -7.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3433 -6.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6282 -7.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6442 -4.6337 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3623 -4.2275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9334 -4.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0731 -4.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3694 -3.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0874 -2.9962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6586 -2.9838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2153 -4.6214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4956 -4.2026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2081 -5.4463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0305 2.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8555 2.4613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 3.1735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8844 -0.4658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5496 -0.4733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2197 -0.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2197 -1.7794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15 19 1 0 0 0 0 47 7 2 0 0 0 0 15 20 2 0 0 0 0 8 21 1 0 0 0 0 7 8 1 0 0 0 0 21 22 1 0 0 0 0 22 34 1 0 0 0 0 2 3 1 0 0 0 0 34 23 1 0 0 0 0 8 9 2 0 0 0 0 23 24 1 0 0 0 0 3 6 2 0 0 0 0 24 25 2 0 0 0 0 9 10 1 0 0 0 0 25 26 1 0 0 0 0 1 2 2 0 0 0 0 26 27 2 0 0 0 0 10 11 2 0 0 0 0 27 28 1 0 0 0 0 11 47 1 0 0 0 0 28 29 2 0 0 0 0 29 24 1 0 0 0 0 5 4 2 0 0 0 0 28 30 1 0 0 0 0 9 12 1 0 0 0 0 25 31 1 0 0 0 0 31 32 1 0 0 0 0 12 13 1 0 0 0 0 31 33 1 0 0 0 0 12 14 1 0 0 0 0 32 35 1 0 0 0 0 35 36 1 0 0 0 0 13 15 1 0 0 0 0 35 37 2 0 0 0 0 33 38 1 0 0 0 0 14 16 1 0 0 0 0 38 39 2 0 0 0 0 4 1 1 0 0 0 0 38 40 1 0 0 0 0 16 17 2 0 0 0 0 1 41 1 0 0 0 0 41 42 2 0 0 0 0 16 18 1 0 0 0 0 41 43 1 0 0 0 0 44 5 1 0 0 0 0 5 6 1 0 0 0 0 6 45 1 0 0 0 0 45 46 2 0 0 0 0 44 46 1 0 0 0 0 47 46 1 0 0 0 0 M END > CHEBI:52084 > Indo-1 dye > 3 > Indo 1 > 2-(4-[bis(carboxymethyl)amino]-3-{[2-({2-[bis(carboxymethyl)amino]-5-methylphenyl}oxy)ethyl]oxy}phenyl)-1H-indole-6-carboxylic acid > C32H31N3O12 > 649.60140 > 649.19077 > 0 > Cc1ccc(N(CC(O)=O)CC(O)=O)c(OCCOc2cc(ccc2N(CC(O)=O)CC(O)=O)-c2cc3ccc(cc3[nH]2)C(O)=O)c1 > InChI=1S/C32H31N3O12/c1-18-2-6-24(34(14-28(36)37)15-29(38)39)26(10-18)46-8-9-47-27-13-20(5-7-25(27)35(16-30(40)41)17-31(42)43)22-11-19-3-4-21(32(44)45)12-23(19)33-22/h2-7,10-13,33H,8-9,14-17H2,1H3,(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H,44,45) > AMHAQOBUZCQMHN-UHFFFAOYSA-N > 96314-96-4 > 96314-96-4 $$$$