70453178 -OEChem-05052411202D 78 81 0 1 0 0 0 0 0999 V2000 1.3126 3.2940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 5.8261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3386 0.4749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 8.8261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7284 8.2231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0117 1.5883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.3261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5944 6.7231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 4.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9401 3.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 5.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9963 2.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8624 2.7231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9249 3.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 6.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2669 2.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 7.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8624 3.7231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2973 3.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 6.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6393 2.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 7.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6241 2.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 7.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9963 1.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1303 2.7231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8624 5.7231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5821 4.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3580 5.7914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8624 6.7231 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.7284 4.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9963 4.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2898 2.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3580 7.8608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7284 5.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9963 5.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6092 4.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2641 6.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9655 3.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2641 7.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9963 7.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9965 1.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 7.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7284 7.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0288 5.0717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 4.9338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9963 2.8431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0744 2.1404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4729 2.8307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8362 1.4244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 8.4461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3763 1.2231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9963 0.6031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6163 1.2231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4403 3.2600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5934 3.0331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8203 2.1861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3633 5.1011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3509 5.1715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8624 7.3431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2653 3.9131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4594 3.9131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4951 1.9914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3509 8.4807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2653 5.5331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4594 5.5331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0059 4.8244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7998 5.9932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5757 3.2592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7998 7.6590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3063 7.7600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4594 7.5331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6863 6.6861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9140 2.8190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3291 6.1361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9400 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3291 9.1361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2653 8.5331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 74 1 0 0 0 0 2 20 1 0 0 0 0 2 75 1 0 0 0 0 3 42 1 0 0 0 0 3 76 1 0 0 0 0 4 43 1 0 0 0 0 4 77 1 0 0 0 0 5 44 1 0 0 0 0 5 78 1 0 0 0 0 6 42 2 0 0 0 0 7 43 2 0 0 0 0 8 44 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 45 1 0 0 0 0 9 46 1 0 0 0 0 10 14 1 0 0 0 0 10 19 2 0 0 0 0 11 15 1 0 0 0 0 11 20 2 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 12 47 1 0 0 0 0 13 18 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 14 16 1 0 0 0 0 14 28 2 0 0 0 0 15 17 1 0 0 0 0 15 29 2 0 0 0 0 16 23 1 0 0 0 0 16 33 2 0 0 0 0 17 24 1 0 0 0 0 17 34 2 0 0 0 0 18 31 2 0 0 0 0 18 32 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 23 2 0 0 0 0 21 42 1 0 0 0 0 22 24 2 0 0 0 0 22 43 1 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 30 1 0 0 0 0 27 35 2 0 0 0 0 27 36 1 0 0 0 0 28 37 1 0 0 0 0 28 58 1 0 0 0 0 29 38 1 0 0 0 0 29 59 1 0 0 0 0 30 41 1 0 0 0 0 30 44 1 0 0 0 0 30 60 1 0 0 0 0 31 35 1 0 0 0 0 31 61 1 0 0 0 0 32 36 2 0 0 0 0 32 62 1 0 0 0 0 33 39 1 0 0 0 0 33 63 1 0 0 0 0 34 40 1 0 0 0 0 34 64 1 0 0 0 0 35 65 1 0 0 0 0 36 66 1 0 0 0 0 37 39 2 0 0 0 0 37 67 1 0 0 0 0 38 40 2 0 0 0 0 38 68 1 0 0 0 0 39 69 1 0 0 0 0 40 70 1 0 0 0 0 41 71 1 0 0 0 0 41 72 1 0 0 0 0 41 73 1 0 0 0 0 M END > 70453178 > 1 > 771 > 8 > 5 > 8 > AAADcfB8PAAAAAAAAAAAAAAAAAAAAAAAAAAwYMGDAAAAAADBVAAAGgAACAAADQSAmAAyDsAAAgCIAiDSCAACAAAkIAAIiAEECMgIJzaCFRKAcUAl4BEImYeI6PSO4AADAAAYAADAAAYAADAAAAAAAAAAAA== > 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-naphthalene-2-carboxylic acid;2-(4-isobutylphenyl)propanoic acid > 4-[(3-carboxy-2-hydroxy-1-naphthalenyl)methyl]-3-hydroxy-2-naphthalenecarboxylic acid;2-[4-(2-methylpropyl)phenyl]propanoic acid > 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;2-[4-(2-methylpropyl)phenyl]propanoic acid > 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;2-[4-(2-methylpropyl)phenyl]propanoic acid > 4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid;2-[4-(2-methylpropyl)phenyl]propanoic acid > 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-2-naphthoic acid;2-(4-isobutylphenyl)propionic acid > InChI=1S/C23H16O6.C13H18O2/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;1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h1-10,24-25H,11H2,(H,26,27)(H,28,29);4-7,9-10H,8H2,1-3H3,(H,14,15) > MKXABULHDYNCSG-UHFFFAOYSA-N > 594.22536804 > C36H34O8 > 594.6 > CC(C)CC1=CC=C(C=C1)C(C)C(=O)O.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O > CC(C)CC1=CC=C(C=C1)C(C)C(=O)O.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O > 152 > 594.22536804 > 0 > 44 > 0 > 1 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 10 14 8 10 19 8 11 15 8 11 20 8 14 16 8 14 28 8 15 17 8 15 29 8 16 23 8 16 33 8 17 24 8 17 34 8 18 31 8 18 32 8 19 21 8 20 22 8 21 23 8 22 24 8 27 35 8 27 36 8 28 37 8 29 38 8 30 41 3 31 35 8 32 36 8 33 39 8 34 40 8 37 39 8 38 40 8 $$$$