3686 -OEChem-08252214583D 54 54 0 0 0 0 0 0 0999 V2000 11.3506 -0.2270 -0.2851 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0173 -2.3124 0.0788 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5238 -1.8534 1.1388 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3551 -0.1418 -1.0395 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1139 2.2748 -0.9939 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5835 0.0698 0.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9537 0.2785 0.6914 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4113 0.3941 0.9728 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0836 -0.0901 -0.2736 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0136 0.2858 0.3499 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4809 0.0872 0.3278 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1532 0.5473 1.3056 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6114 -0.2100 -0.6598 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4903 0.4748 0.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9798 -0.0479 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1382 1.5153 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1079 -0.8862 0.6567 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1109 -0.3824 -0.9616 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4981 1.3330 -0.5006 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4519 -1.0527 0.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0999 -0.0184 -0.4781 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5984 2.9162 -0.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6701 -3.0338 -1.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3612 0.0794 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5104 0.6989 -0.8542 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4916 -0.9704 -0.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0288 -0.3368 1.5959 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0593 1.3251 1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4606 -0.2740 1.8419 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5383 1.4133 1.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0015 0.5298 -1.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9635 -1.1324 -0.5945 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0951 -0.7182 -0.0804 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0422 0.9867 -0.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5855 1.1165 0.6929 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5777 -0.5693 1.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0148 1.5277 1.7778 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0966 -0.1548 2.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5037 -1.2336 -1.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5338 0.4639 -1.5214 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1052 0.9780 0.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0541 -0.6944 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0989 0.2884 -1.8266 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0332 -1.4168 -1.3115 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5519 3.0026 0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6521 3.2674 -1.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1849 3.5958 0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0523 -0.4463 -0.9216 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0619 -2.5509 -1.9885 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1199 -4.0289 -1.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5852 -3.1609 -1.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3202 -0.6705 0.7267 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2930 1.0855 0.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3338 -0.0095 -0.5644 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 48 1 0 0 0 0 2 20 1 0 0 0 0 2 23 1 0 0 0 0 3 17 2 0 0 0 0 4 21 1 0 0 0 0 4 24 1 0 0 0 0 5 19 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 14 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 19 1 0 0 0 0 16 22 1 0 0 0 0 17 20 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 21 1 0 0 0 0 20 21 2 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 M END > DB09081 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JGPMMRGNQUBGND-UHFFFAOYSA-N/SDF?record_type=3d > COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O > InChI=1S/C19H30O5/c1-14-15(12-10-8-6-4-5-7-9-11-13-20)17(22)19(24-3)18(23-2)16(14)21/h20H,4-13H2,1-3H3 > JGPMMRGNQUBGND-UHFFFAOYSA-N > C19H30O5 > 338.444 > 338.209324066 > 5 > 54 > 0.010077246845264754 > 39.560477060976496 > 1 > 1 > 0 > 1 > 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione > 3.98 > 3.5679935743333338 > -4.32 > 0 > 0 > 1 > 0 > 16.84394282199214 > -1.9914450153462842 > 72.83 > 96.51789999999998 > 12 > 1 > 1.63e-02 g/l > idebenone > 0 $$$$