Mrv0541 09101416192D 87 87 0 0 0 0 999 V2000 -1.3028 2.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2252 -0.4193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0894 -1.8418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2360 -6.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8857 -7.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3305 -7.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6009 -6.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0800 -5.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5489 -3.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8428 -2.4942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3739 -3.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1285 -3.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2644 -1.8418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3457 0.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3982 -7.3587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0099 -7.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0051 -1.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0021 -2.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3257 -4.3979 0.0000 C 0 0 0 0 0 0 0 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C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1846 -7.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4468 -1.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3460 -5.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9808 -6.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0171 -4.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6648 -0.7825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9595 -3.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9646 -2.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8398 -0.7825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5731 -0.4044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0096 -7.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8058 -6.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7896 -2.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1458 -0.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9762 -6.7894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5210 -5.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1345 -3.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8421 -4.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6218 -1.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9957 -5.9876 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -6.4525 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3110 -3.1074 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6256 -1.6065 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0762 -4.7406 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1707 -5.9876 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2512 -4.7406 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4860 -3.1074 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8006 -1.6065 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3981 -0.4044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2671 -0.8505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8151 -7.8235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0756 -6.9234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5949 -2.2562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1850 0.4876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5732 -7.3587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3311 -5.6764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9577 -3.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4906 -4.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2846 -1.1937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5303 1.7577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6909 2.0678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25 1 1 0 0 0 0 26 2 1 0 0 0 0 27 25 2 0 0 0 0 28 27 1 0 0 0 0 34 3 1 0 0 0 0 34 4 1 0 0 0 0 34 29 1 0 0 0 0 35 5 1 0 0 0 0 35 6 1 0 0 0 0 35 30 1 0 0 0 0 36 7 1 0 0 0 0 36 8 1 0 0 0 0 36 31 1 0 0 0 0 37 9 1 0 0 0 0 37 10 1 0 0 0 0 37 32 1 0 0 0 0 38 11 1 0 0 0 0 38 12 1 0 0 0 0 39 13 1 0 0 0 0 39 14 1 0 0 0 0 40 15 1 0 0 0 0 40 28 1 0 0 0 0 41 16 1 0 0 0 0 42 17 1 0 0 0 0 43 26 1 0 0 0 0 44 29 1 0 0 0 0 45 30 1 0 0 0 0 46 31 1 0 0 0 0 47 32 1 0 0 0 0 48 33 1 0 0 0 0 49 38 1 0 0 0 0 50 39 1 0 0 0 0 52 40 1 0 0 0 0 52 51 1 0 0 0 0 53 41 1 0 0 0 0 54 45 1 0 0 0 0 55 44 1 0 0 0 0 56 51 1 0 0 0 0 57 42 1 0 0 0 0 58 43 1 0 0 0 0 59 46 1 0 0 0 0 60 47 1 0 0 0 0 61 49 1 0 0 0 0 62 50 1 0 0 0 0 63 41 1 4 0 0 0 63 54 2 0 0 0 0 64 42 1 4 0 0 0 64 53 2 0 0 0 0 65 43 1 4 0 0 0 65 56 2 0 0 0 0 66 49 1 4 0 0 0 66 55 2 0 0 0 0 67 18 1 0 0 0 0 67 33 1 0 0 0 0 67 58 1 0 0 0 0 68 19 1 0 0 0 0 68 44 1 0 0 0 0 68 48 1 0 0 0 0 69 20 1 0 0 0 0 69 45 1 0 0 0 0 69 61 1 0 0 0 0 70 21 1 0 0 0 0 70 46 1 0 0 0 0 70 57 1 0 0 0 0 71 22 1 0 0 0 0 71 47 1 0 0 0 0 71 59 1 0 0 0 0 72 23 1 0 0 0 0 72 50 1 0 0 0 0 72 60 1 0 0 0 0 73 24 1 0 0 0 0 73 51 1 0 0 0 0 73 62 1 0 0 0 0 74 48 2 0 0 0 0 75 52 1 0 0 0 0 76 53 1 0 0 0 0 77 54 1 0 0 0 0 78 55 1 0 0 0 0 79 56 1 0 0 0 0 80 57 2 0 0 0 0 81 58 2 0 0 0 0 82 59 2 0 0 0 0 83 60 2 0 0 0 0 84 61 2 0 0 0 0 85 62 2 0 0 0 0 86 25 1 0 0 0 0 87 27 1 0 0 0 0 M END > T3D3498 > t3db > [H]\C(C)=C(\[H])CC(C)C(O)C1N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)N=C(O)C(C)N=C(O)C(CC(C)C)N(C)C(=O)C(N=C(O)C(CC(C)C)N(C)C(=O)CN(C)C(=O)C(CC)N=C1O)C(C)C > InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+ > PMATZTZNYRCHOR-IMVLJIQESA-N > C62H111N11O12 > 1202.6112 > 1201.841368071 > 16 > 196 > 131.9246466471638 > 0 > 5 > 0 > 0 > 30-ethyl-14,17,23,32-tetrahydroxy-33-[(4E)-1-hydroxy-2-methylhex-4-en-1-yl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-bis(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriaconta-13,16,22,31-tetraene-2,5,8,11,20,26,29-heptone > 4.37 > 6.916573835333333 > -5.32 > 0 > 1 > 0 > 4.168506876724171 > 3.6851600187532214 > 1.9404482951212039 > 292.75999999999993 > 329.22850000000005 > 15 > 0 > 5.81e-03 g/l > 30-ethyl-14,17,23,32-tetrahydroxy-33-[(4E)-1-hydroxy-2-methylhex-4-en-1-yl]-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriaconta-13,16,22,31-tetraene-2,5,8,11,20,26,29-heptone > 0 > T3D3498 > Cyclosporin > 59865-13-3 > Ciclosporin; CsA; CyA; Cyclosporin A; Gengraf; Neoral; Restasis; Sandimmune; Sangcya > Organic Compound; Amine; Amide; Drug; Antirheumatic Agent; Dermatologic Agent; Enzyme Inhibitor; Immunosuppressive Agent; Antifungal Agent; Immunomodulatory Agent; Fungal Toxin; Natural Compound $$$$