6324616 -OEChem-02212014103D 97100 0 1 0 0 0 0 0999 V2000 -0.1653 1.3444 1.7859 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8924 0.6829 -1.5030 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6175 3.6445 -2.0937 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0763 3.5026 0.8440 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7567 0.2837 -1.7154 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5241 -1.2644 0.1928 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6481 0.1321 2.5466 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2741 -1.8176 -3.0487 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7198 -2.1521 2.9217 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8810 -2.4114 -3.1961 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4583 -2.4618 1.7907 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7464 -2.9052 1.6445 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0591 -2.6466 -0.6250 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2837 2.6847 -0.2748 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4660 1.8046 -0.8079 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6134 1.8253 0.6832 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5346 2.4114 -1.7627 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9304 2.4200 1.2663 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6560 3.2632 -1.1001 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7703 3.9684 0.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9054 2.9897 0.2021 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3866 2.6101 0.1026 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8863 3.1840 -2.9264 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7316 3.3983 2.4387 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3478 3.6150 0.7565 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3240 1.9659 -0.8248 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1771 1.3733 -0.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4859 0.5036 2.6378 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4372 1.2230 -0.7733 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8461 0.1303 0.1116 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6894 -1.0703 -1.2341 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9463 4.1170 -0.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4453 0.0847 3.7349 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5022 -1.8960 -0.7792 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4340 -1.6420 -1.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2212 -1.6537 0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1412 -2.2106 -0.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9309 -1.8204 -1.6896 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6617 -1.0368 -0.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6291 -1.7627 1.6165 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5078 -2.2726 0.4916 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2678 -2.0724 1.6686 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3727 -2.4118 -1.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8826 -2.4809 0.5587 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3070 -2.3205 0.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6476 -2.6077 -0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4207 -1.5165 2.8564 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0050 -2.6040 -1.8467 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9174 -2.6363 0.4637 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2111 -3.4884 -0.2053 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3406 2.9594 -1.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9749 1.3635 0.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9099 0.9399 0.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0442 1.5677 -2.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5640 1.6461 1.6933 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2324 4.2082 -0.7552 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4406 3.7639 1.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0618 4.5732 0.7473 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2835 4.6142 -0.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4126 3.8266 -0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6482 2.3577 0.8721 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4350 4.1215 -2.5891 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1057 2.5848 -3.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6247 3.4287 -3.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8711 3.1585 3.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6130 3.3819 3.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6272 4.4306 2.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6180 0.0771 -1.7287 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8231 3.1801 1.6433 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8075 4.5120 1.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1433 3.9282 0.0712 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6446 1.8192 -1.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9443 2.8356 -2.5224 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0831 1.5279 -0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1619 1.2502 0.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9377 -0.0150 0.6891 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6602 3.4183 -0.5319 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4080 4.6645 -0.8733 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5436 4.8506 0.4599 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2575 -0.5321 3.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8688 0.9830 4.1964 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1011 -0.4404 4.5228 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8225 -1.4047 -1.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8784 -2.8811 -1.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0771 -1.7379 -2.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6644 -0.8319 -0.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0087 -0.5945 2.7691 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -2.3433 2.9878 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8558 -1.4501 3.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5956 -2.7154 -2.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4781 -2.5960 -1.5518 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3471 -4.0547 0.7218 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7870 -4.1579 -0.9607 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2007 -3.1757 -0.5542 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3106 -2.6775 3.4873 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1748 -2.5686 -3.8455 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8739 -2.8943 2.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 28 1 0 0 0 0 2 15 1 0 0 0 0 2 68 1 0 0 0 0 3 19 1 0 0 0 0 3 73 1 0 0 0 0 4 21 1 0 0 0 0 4 32 1 0 0 0 0 5 29 1 0 0 0 0 5 31 1 0 0 0 0 6 31 1 0 0 0 0 6 36 1 0 0 0 0 7 28 2 0 0 0 0 8 35 2 0 0 0 0 9 42 1 0 0 0 0 9 95 1 0 0 0 0 10 43 1 0 0 0 0 10 96 1 0 0 0 0 11 44 1 0 0 0 0 11 97 1 0 0 0 0 12 49 2 0 0 0 0 13 46 1 0 0 0 0 13 49 1 0 0 0 0 13 91 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 14 51 1 0 0 0 0 15 17 1 0 0 0 0 15 52 1 0 0 0 0 16 18 1 0 0 0 0 16 53 1 0 0 0 0 17 19 1 0 0 0 0 17 23 1 0 0 0 0 17 54 1 0 0 0 0 18 21 1 0 0 0 0 18 24 1 0 0 0 0 18 55 1 0 0 0 0 19 22 1 0 0 0 0 19 56 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 20 59 1 0 0 0 0 21 26 1 0 0 0 0 21 60 1 0 0 0 0 22 25 1 0 0 0 0 22 27 1 0 0 0 0 22 61 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 24 65 1 0 0 0 0 24 66 1 0 0 0 0 24 67 1 0 0 0 0 25 69 1 0 0 0 0 25 70 1 0 0 0 0 25 71 1 0 0 0 0 26 29 2 0 0 0 0 26 72 1 0 0 0 0 27 30 2 0 0 0 0 27 74 1 0 0 0 0 28 33 1 0 0 0 0 29 75 1 0 0 0 0 30 39 1 0 0 0 0 30 76 1 0 0 0 0 31 35 1 0 0 0 0 31 38 1 0 0 0 0 32 77 1 0 0 0 0 32 78 1 0 0 0 0 32 79 1 0 0 0 0 33 80 1 0 0 0 0 33 81 1 0 0 0 0 33 82 1 0 0 0 0 34 35 1 0 0 0 0 34 36 2 0 0 0 0 34 37 1 0 0 0 0 36 40 1 0 0 0 0 37 41 1 0 0 0 0 37 43 2 0 0 0 0 38 83 1 0 0 0 0 38 84 1 0 0 0 0 38 85 1 0 0 0 0 39 45 2 0 0 0 0 39 86 1 0 0 0 0 40 42 2 0 0 0 0 40 47 1 0 0 0 0 41 42 1 0 0 0 0 41 44 2 0 0 0 0 43 48 1 0 0 0 0 44 46 1 0 0 0 0 45 49 1 0 0 0 0 45 50 1 0 0 0 0 46 48 2 0 0 0 0 47 87 1 0 0 0 0 47 88 1 0 0 0 0 47 89 1 0 0 0 0 48 90 1 0 0 0 0 50 92 1 0 0 0 0 50 93 1 0 0 0 0 50 94 1 0 0 0 0 M END > DB11753 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HJYYPODYNSCCOU-ODRIEIDWSA-N/SDF?record_type=3d > CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C)C(O)=C4C(O)=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C=C(O)C4=C3C2=O > InChI=1S/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1 > HJYYPODYNSCCOU-ODRIEIDWSA-N > C37H47NO12 > 697.778 > 697.309825957 > 11 > 97 > -0.4798843557907934 > 72.60376935991462 > 0 > 6 > 0 > 0 > (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,25(29),26-octaen-13-yl acetate > 4.15 > 4.174343761666667 > -4.68 > 0 > 0 > 4 > -1 > 8.531655338609067 > 7.09175134467209 > -1.0787498224598797 > 201.30999999999997 > 187.79820000000007 > 3 > 0 > 1.47e-02 g/l > (5Z,7E)-deca-5,7,9-trien-2-one > 0 $$$$