14205264 -OEChem-10051720523D 53 53 0 1 0 0 0 0 0999 V2000 2.2309 0.2948 1.4677 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4954 -1.2761 0.5577 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3209 -2.2647 -1.1123 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4924 1.1518 -1.0527 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5910 2.0371 -0.0814 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6796 1.0071 0.3094 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0256 -0.0214 -0.7803 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 1.3825 -0.5109 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0836 2.9749 -1.1896 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3435 -0.7116 -0.5092 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9262 1.5155 0.0475 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5140 0.1579 -0.5915 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1460 -0.8052 0.4496 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0838 0.8082 -0.4878 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3300 0.8852 0.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5108 -0.1630 -1.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3560 -1.8775 0.2377 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2616 2.4186 1.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1822 -1.8873 0.9432 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9385 1.1832 2.5326 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3563 -1.5217 -0.1395 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7266 -0.7995 -0.7628 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5718 -2.5138 0.4879 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7571 -1.9747 -0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4105 2.7071 0.7601 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5936 1.5545 0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0884 0.4500 -1.7672 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2402 -0.7850 -0.8539 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3842 0.7238 -1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3629 3.7838 -1.3576 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2183 2.4582 -2.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0383 3.4359 -0.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1990 -0.4245 -1.4671 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4845 -0.2289 1.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9080 0.1813 -1.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5641 1.4889 0.8798 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4970 0.7532 -1.5961 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4387 -2.3052 0.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0523 3.1300 0.9357 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5753 1.8396 2.0784 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4264 3.0454 1.5208 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7552 -2.4514 0.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6986 -2.6031 1.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3580 -1.4550 1.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6194 2.0399 2.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 1.4957 2.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0690 0.6222 3.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3018 0.6813 -1.4552 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0865 1.6998 -1.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6496 -0.3795 -1.1516 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5957 -3.4288 1.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7037 -2.4701 0.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2649 -1.7534 0.1805 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 20 1 0 0 0 0 2 21 1 0 0 0 0 2 53 1 0 0 0 0 3 21 2 0 0 0 0 4 12 1 0 0 0 0 4 48 1 0 0 0 0 4 49 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 7 10 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 11 2 0 0 0 0 8 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 11 14 1 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 33 1 0 0 0 0 13 19 1 0 0 0 0 13 21 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 16 22 1 0 0 0 0 16 37 1 0 0 0 0 17 23 2 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 22 24 2 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 24 52 1 0 0 0 0 M END > DB06905 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HJVCHYDYCYBBQX-HLTLHRPFSA-N/SDF?record_type=3d > [H][C@](C)(\C=C(/C)\C=C\[C@]([H])(N)[C@]([H])(C)C(O)=O)[C@]([H])(CC1=CC=CC=C1)OC > InChI=1S/C20H29NO3/c1-14(10-11-18(21)16(3)20(22)23)12-15(2)19(24-4)13-17-8-6-5-7-9-17/h5-12,15-16,18-19H,13,21H2,1-4H3,(H,22,23)/b11-10+,14-12+/t15-,16-,18-,19-/m0/s1 > HJVCHYDYCYBBQX-HLTLHRPFSA-N > C20H29NO3 > 331.4492 > 331.214743799 > 4 > 53 > 0.0010505240719904663 > 38.17283938689844 > 1 > 2 > 0 > 1 > (2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid > 0.71 > 1.4064528216177834 > -4.61 > 0 > 0 > 1 > 0 > 4.007927306128151 > 10.009518149716884 > 72.55000000000001 > 99.17460000000001 > 9 > 1 > 8.13e-03 g/l > biotin > 0 $$$$