Mrv1718008191817302D 78 78 0 0 0 0 999 V2000 0.7423 4.9732 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0635 5.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6198 4.5412 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3129 5.9368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4256 4.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3704 3.7548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9268 3.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6774 2.3592 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7325 3.3228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 2.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0395 1.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1471 3.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2337 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9843 0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5407 0.3544 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1786 0.7863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3464 0.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2913 -0.4319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5958 1.3181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9027 -0.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2986 5.5823 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1044 5.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0492 6.3687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6056 6.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2434 6.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6606 6.0143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3538 4.6186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7974 4.0095 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6031 3.8323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0468 3.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8524 3.0459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4904 2.6140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2672 3.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1595 4.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7398 1.8276 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5456 1.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1834 1.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3777 1.3956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4329 0.4320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 0.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1019 2.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8766 -0.1772 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1259 -0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9317 -1.1408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5695 -1.5727 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8189 -2.3591 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2626 -2.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6248 -2.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 -1.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0707 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5431 -2.7911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8741 -3.3227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -3.7548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0443 -4.3640 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7614 -4.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2050 -5.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0109 -5.3275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3512 -5.7595 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1570 -5.5823 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7133 -6.1915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4064 -4.7959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 -4.1866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2121 -4.6186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5191 -6.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4639 -6.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4255 -5.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3177 -3.9320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8476 -1.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6533 -0.8638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5982 -1.8275 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4040 -1.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1546 -2.4366 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9603 -2.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0680 -1.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9052 -3.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4615 -3.8322 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0994 -3.4003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2672 -3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17 20 1 0 0 0 0 36 40 1 0 0 0 0 2 3 1 0 0 0 0 36 41 1 0 0 0 0 1 21 1 0 0 0 0 42 39 1 0 0 0 0 42 50 1 6 0 0 0 10 11 1 0 0 0 0 42 43 1 0 0 0 0 21 22 1 0 0 0 0 43 44 2 0 0 0 0 3 6 1 0 0 0 0 43 45 1 0 0 0 0 21 23 1 1 0 0 0 45 46 1 0 0 0 0 10 12 1 0 0 0 0 46 47 1 0 0 0 0 23 24 1 0 0 0 0 46 48 1 1 0 0 0 1 2 1 0 0 0 0 48 49 1 0 0 0 0 23 25 1 0 0 0 0 8 13 1 0 0 0 0 47 51 2 0 0 0 0 22 26 2 0 0 0 0 48 52 1 0 0 0 0 6 7 1 0 0 0 0 47 53 1 0 0 0 0 22 27 1 0 0 0 0 54 53 1 0 0 0 0 13 14 1 0 0 0 0 54 55 1 1 0 0 0 28 27 1 0 0 0 0 54 56 1 0 0 0 0 2 4 2 0 0 0 0 56 57 2 0 0 0 0 28 29 1 1 0 0 0 56 58 1 0 0 0 0 14 15 1 0 0 0 0 58 59 1 0 0 0 0 28 30 1 0 0 0 0 59 60 1 6 0 0 0 7 8 1 0 0 0 0 59 61 1 0 0 0 0 30 31 2 0 0 0 0 61 62 2 0 0 0 0 14 16 2 0 0 0 0 61 63 1 0 0 0 0 30 32 1 0 0 0 0 60 64 1 0 0 0 0 60 65 1 0 0 0 0 29 33 1 0 0 0 0 55 66 1 0 0 0 0 15 17 1 6 0 0 0 55 67 1 0 0 0 0 29 34 1 0 0 0 0 18 68 1 0 0 0 0 7 9 2 0 0 0 0 68 69 2 0 0 0 0 32 35 1 0 0 0 0 70 68 1 0 0 0 0 15 18 1 0 0 0 0 70 71 1 6 0 0 0 35 36 1 6 0 0 0 70 72 1 0 0 0 0 3 5 1 1 0 0 0 71 73 1 0 0 0 0 71 74 1 0 0 0 0 35 37 1 0 0 0 0 17 19 1 0 0 0 0 72 75 1 0 0 0 0 37 38 2 0 0 0 0 76 75 1 0 0 0 0 8 10 1 1 0 0 0 75 77 2 0 0 0 0 37 39 1 0 0 0 0 76 78 1 1 0 0 0 76 63 1 0 0 0 0 M END > DB14057 > drugbank > CC(C)[C@@H]1NC(=O)[C@H](C)OC(=O)[C@H](NC(=O)[C@H](OC(=O)[C@@H](NC(=O)[C@H](C)OC(=O)[C@H](NC(=O)[C@H](OC(=O)[C@@H](NC(=O)[C@H](C)OC(=O)[C@H](NC(=O)[C@H](OC1=O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C > InChI=1S/C54H90N6O18/c1-22(2)34-49(67)73-31(19)43(61)55-38(26(9)10)53(71)77-41(29(15)16)47(65)59-36(24(5)6)51(69)75-33(21)45(63)57-39(27(11)12)54(72)78-42(30(17)18)48(66)60-35(23(3)4)50(68)74-32(20)44(62)56-37(25(7)8)52(70)76-40(28(13)14)46(64)58-34/h22-42H,1-21H3,(H,55,61)(H,56,62)(H,57,63)(H,58,64)(H,59,65)(H,60,66)/t31-,32-,33-,34+,35+,36+,37-,38-,39-,40+,41+,42+/m0/s1 > FCFNRCROJUBPLU-DNDCDFAISA-N > C54H90N6O18 > 1111.338 > 1110.631160082 > 12 > 168 > 116.72075270708197 > 0 > 6 > 0 > 0 > (3S,6S,9R,12R,15S,18S,21R,24R,27S,30S,33R,36R)-6,18,30-trimethyl-3,9,12,15,21,24,27,33,36-nonakis(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexaazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone > 3.07 > 5.924192648000002 > -5.01 > 0 > 1 > 0 > 11.549843893095915 > 11.189128966162498 > 332.3999999999999 > 276.8304000000002 > 9 > 0 > 1.08e-02 g/l > (3R,6R,9S,12S,15R,18R,21S,24S,27R,30R,33S,36S)-3,6,9,15,18,21,27,30,33-nonaisopropyl-12,24,36-trimethyl-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexaazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone > 0 > DB14057 > experimental > Valinomycin > Potassium ionophore I; Valinomicin $$$$