275182 -OEChem-09122317443D 85 91 0 1 0 0 0 0 0999 V2000 0.5739 -0.8001 -0.5728 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6496 -3.7158 -0.6280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5294 -2.0346 2.0199 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9929 -4.9816 -0.4454 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0266 4.5187 -0.6430 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4615 6.6017 0.2705 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2639 1.3315 -0.7580 N 0 0 1 0 0 0 0 0 0 0 0 0 -5.2641 -2.1520 -0.6148 N 0 0 1 0 0 0 0 0 0 0 0 0 2.9560 0.7214 -0.4158 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3103 -1.0313 -0.7976 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9544 -0.8058 -0.3809 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3699 0.6986 -0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1674 -1.5166 -0.2982 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0059 -1.3675 -0.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4935 -0.8019 -0.2928 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4374 1.3165 0.9207 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5623 -2.3943 0.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0284 -2.0807 1.1203 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3039 -2.7043 1.6267 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8803 0.3569 -0.3663 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 -1.5292 -0.4523 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7715 -0.9711 -0.6276 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4979 1.3646 -2.2019 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1576 -2.9192 -0.3096 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5763 -1.2403 0.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9206 2.7278 0.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8297 -2.2964 1.8163 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7536 -2.9287 -0.5037 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4895 -1.9997 -1.3937 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9136 1.5159 -0.4471 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6111 -1.8560 1.2955 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9587 -3.6194 -0.4153 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6911 2.9436 0.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6479 3.8280 1.2226 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4677 2.0024 -1.6834 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4357 2.1056 0.7335 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1778 4.2378 -0.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1497 5.1220 1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0082 3.5572 -0.5543 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5173 3.0235 -1.7386 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4959 3.1321 0.6831 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9186 5.3288 0.4291 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2348 -4.0416 -1.9521 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8996 -0.9886 2.9169 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8988 -5.6578 0.8062 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2514 1.0119 -1.2079 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0783 -0.9870 -1.8712 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2369 0.8648 1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3181 1.1943 -0.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1438 -1.2396 0.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9748 -0.9671 -1.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1777 1.2576 1.7264 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5826 0.7416 1.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2451 -3.2482 0.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0911 -1.5439 1.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1541 -3.7923 1.6212 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4728 -2.3998 2.6665 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2599 0.3130 0.6611 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7468 0.6143 -0.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7386 -0.4550 -1.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4588 1.8414 -2.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7311 1.9717 -2.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4918 0.3712 -2.6624 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0969 -3.4663 -0.2611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8455 -2.8273 2.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0726 -2.9270 -1.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2598 -1.8106 -2.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1291 -1.1908 -1.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 2.0849 -0.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6072 3.6866 1.7134 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8379 1.5692 -2.6089 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7791 1.7544 1.7035 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7293 5.9683 1.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1566 3.3725 -2.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1296 3.5681 1.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9785 -4.6767 -2.4431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0697 -3.1347 -2.5427 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7075 -4.5926 -1.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6998 -1.3302 3.9375 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3330 -0.0669 2.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9737 -0.8100 2.8292 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9595 -5.4096 1.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7483 -5.3987 1.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9195 -6.7345 0.6165 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4010 6.5627 -0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 25 1 0 0 0 0 2 28 1 0 0 0 0 2 43 1 0 0 0 0 3 31 1 0 0 0 0 3 44 1 0 0 0 0 4 32 1 0 0 0 0 4 45 1 0 0 0 0 5 37 1 0 0 0 0 5 39 1 0 0 0 0 6 42 1 0 0 0 0 6 85 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 23 1 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 9 46 1 0 0 0 0 10 14 1 0 0 0 0 10 20 1 0 0 0 0 10 47 1 0 0 0 0 11 13 1 0 0 0 0 11 21 2 0 0 0 0 12 15 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 13 15 1 0 0 0 0 13 24 2 0 0 0 0 14 18 1 0 0 0 0 14 22 2 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 26 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 19 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 19 1 0 0 0 0 18 27 2 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 20 30 1 0 0 0 0 20 58 1 0 0 0 0 20 59 1 0 0 0 0 21 28 1 0 0 0 0 22 25 1 0 0 0 0 22 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 24 32 1 0 0 0 0 24 64 1 0 0 0 0 25 31 2 0 0 0 0 26 33 2 0 0 0 0 26 34 1 0 0 0 0 27 31 1 0 0 0 0 27 65 1 0 0 0 0 28 32 2 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 30 35 2 0 0 0 0 30 36 1 0 0 0 0 33 37 1 0 0 0 0 33 69 1 0 0 0 0 34 38 2 0 0 0 0 34 70 1 0 0 0 0 35 40 1 0 0 0 0 35 71 1 0 0 0 0 36 41 2 0 0 0 0 36 72 1 0 0 0 0 37 42 2 0 0 0 0 38 42 1 0 0 0 0 38 73 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 40 74 1 0 0 0 0 41 75 1 0 0 0 0 43 76 1 0 0 0 0 43 77 1 0 0 0 0 43 78 1 0 0 0 0 44 79 1 0 0 0 0 44 80 1 0 0 0 0 44 81 1 0 0 0 0 45 82 1 0 0 0 0 45 83 1 0 0 0 0 45 84 1 0 0 0 0 M END > DB18146 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DFOCUWZXJBAUSQ-URLMMPGGSA-N/SDF?record_type=3d > [H][C@]12CC3=CC=C(OC4=CC(C[C@@]5([H])N(C)CCC6=CC(OC)=C(OC)C(OC7=CC1=C(CCN2C)C=C7OC)=C56)=CC=C4O)C=C3 > InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-31-18-23(8-11-30(31)40)17-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29-/m0/s1 > DFOCUWZXJBAUSQ-URLMMPGGSA-N > C37H40N2O6 > 608.735 > 608.288637016 > 6 > 85 > 2.0004510699968736 > 66.00806199462801 > 0 > 1 > 0 > 0 > (1S,14R)-20,21,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2^{3,6}.1^{8,12}.1^{14,18}.0^{27,31}.0^{22,33}]hexatriaconta-3,5,8(34),9,11,18,20,22(33),24(32),25,27(31),35-dodecaen-9-ol > 5.821345312574111 > 0 > 2 > 7 > 2 > 8.940273325526718 > 8.2514997805762 > 72.86000000000001 > 175.63229999999993 > 3 > 0 > (1S,14R)-20,21,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2^{3,6}.1^{8,12}.1^{14,18}.0^{27,31}.0^{22,33}]hexatriaconta-3,5,8(34),9,11,18,20,22(33),24(32),25,27(31),35-dodecaen-9-ol > 0 $$$$