196122 -OEChem-10061700173D 69 72 0 1 0 0 0 0 0999 V2000 0.2444 -2.4252 -0.5194 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2891 -0.3232 0.3497 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0974 -4.4588 0.3668 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3865 1.1720 -0.2814 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6661 -2.7829 2.4461 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5970 -0.3835 -0.8931 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0151 -1.1575 0.1281 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2088 -0.9213 1.0539 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5730 -2.3375 1.4429 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3422 -3.0830 0.1336 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2134 -0.0899 -0.9268 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4624 -0.3759 -1.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2986 0.1379 1.2373 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8800 -5.1676 -0.8476 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1491 2.2458 -1.1777 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5827 0.2979 0.4777 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7902 -0.6658 -1.6102 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3443 3.5434 -0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6255 -6.6255 -0.5287 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8847 1.5151 -0.1334 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4745 -0.7705 0.3822 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9480 -0.6606 -0.6558 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7324 4.1481 0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6024 4.1450 -0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0784 1.6635 -0.8398 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6680 -0.6219 -0.3241 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9699 0.5951 -0.9351 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6456 0.5225 -0.4117 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3265 -1.8388 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5508 5.3542 0.8757 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7840 5.3512 0.2547 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7075 5.9557 0.9035 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7217 0.5272 0.4757 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4027 -1.8341 0.8753 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1002 -0.6512 1.1192 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8790 -1.2820 0.7529 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9094 -0.2853 1.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5901 -2.5021 1.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2207 -2.9689 -0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6488 -0.0638 -1.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6143 0.3738 -2.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3728 -1.3508 -2.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8253 -2.2451 3.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4591 -0.5397 2.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9832 1.0998 1.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0113 -4.7596 -1.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7624 -5.0791 -1.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8762 2.1917 -1.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8254 2.2195 -2.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9457 0.0863 -2.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7120 -1.6437 -2.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4555 -7.2020 -1.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2480 -6.7307 0.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4769 -7.0570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1969 2.3540 -0.0685 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2486 -1.7243 0.8517 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7168 3.6875 0.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4496 3.6820 -0.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3132 2.6108 -1.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3619 -1.4540 -0.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8991 0.7106 -1.4854 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3584 1.4473 -0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7892 -2.7662 -0.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3888 5.8246 1.3818 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7638 5.8192 0.2771 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8490 6.8945 1.4309 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2645 1.4484 0.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6970 -2.7513 1.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9379 -0.6474 1.8106 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 8 1 0 0 0 0 2 13 1 0 0 0 0 3 10 1 0 0 0 0 3 14 1 0 0 0 0 4 11 1 0 0 0 0 4 15 1 0 0 0 0 5 9 1 0 0 0 0 5 43 1 0 0 0 0 6 12 1 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 16 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 19 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 18 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 17 22 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 23 2 0 0 0 0 18 24 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 25 1 0 0 0 0 20 55 1 0 0 0 0 21 26 2 0 0 0 0 21 56 1 0 0 0 0 22 28 2 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 23 57 1 0 0 0 0 24 31 2 0 0 0 0 24 58 1 0 0 0 0 25 27 2 0 0 0 0 25 59 1 0 0 0 0 26 27 1 0 0 0 0 26 60 1 0 0 0 0 27 61 1 0 0 0 0 28 33 1 0 0 0 0 28 62 1 0 0 0 0 29 34 2 0 0 0 0 29 63 1 0 0 0 0 30 32 2 0 0 0 0 30 64 1 0 0 0 0 31 32 1 0 0 0 0 31 65 1 0 0 0 0 32 66 1 0 0 0 0 33 35 2 0 0 0 0 33 67 1 0 0 0 0 34 35 1 0 0 0 0 34 68 1 0 0 0 0 35 69 1 0 0 0 0 M END > DB13227 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ULLNJSBQMBKOJH-VIVFLBMVSA-N/SDF?record_type=3d > CCOC1O[C@H]([C@@H](COCC2=CC=CC=C2)OCC2=CC=CC=C2)[C@H](OCC2=CC=CC=C2)[C@H]1O > InChI=1S/C29H34O6/c1-2-32-29-26(30)28(34-20-24-16-10-5-11-17-24)27(35-29)25(33-19-23-14-8-4-9-15-23)21-31-18-22-12-6-3-7-13-22/h3-17,25-30H,2,18-21H2,1H3/t25-,26-,27-,28-,29?/m1/s1 > ULLNJSBQMBKOJH-VIVFLBMVSA-N > C29H34O6 > 478.585 > 478.235538815 > 6 > 69 > 52.50777982532493 > 0 > 1 > 0 > 0 > (3R,4R,5R)-4-(benzyloxy)-5-[(1R)-1,2-bis(benzyloxy)ethyl]-2-ethoxyoxolan-3-ol > 4.13 > 5.170194103333333 > -5.17 > 1 > 4 > 0 > 12.363193392824911 > -3.5587319981251793 > 66.38000000000001 > 133.51460000000006 > 13 > 0 > 3.25e-03 g/l > glyvenol > 0 $$$$