Mrv0541 02231216562D 51 56 0 0 1 0 999 V2000 1.6210 2.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3482 1.7633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8066 2.1067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 1.7511 0.0000 Ga 0 0 0 0 0 0 0 0 0 0 0 0 3.1991 0.9720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3468 0.9126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0775 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3932 -0.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1488 -1.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7317 -1.6682 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1854 -2.2550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4617 -1.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7931 -2.3607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5352 -1.1654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9776 -0.4003 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8781 0.4274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9979 0.5281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8184 1.3477 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8747 1.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1094 0.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2926 2.0871 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0775 2.3473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5753 3.1609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0172 2.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7832 2.4848 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7072 2.4359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3451 2.9033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5676 1.6599 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2415 2.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8236 3.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0435 3.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2455 3.1892 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4979 2.1954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6373 2.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3121 3.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6693 2.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4330 0.8282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8469 0.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0616 0.1234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8179 -0.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3553 -0.0234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8079 0.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2062 1.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4804 1.5372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3253 0.9029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5506 1.3669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9825 1.7254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7780 0.7385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2472 -1.2011 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -1.5651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7816 -2.3111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 6 0 0 0 19 20 1 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 4 33 1 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 2 0 0 0 0 4 36 1 0 0 0 0 28 37 1 1 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 4 45 1 0 0 0 0 44 46 1 0 0 0 0 46 47 1 0 0 0 0 46 48 2 0 0 0 0 4 48 1 0 0 0 0 40 49 1 0 0 0 0 49 50 1 0 0 0 0 10 50 1 6 0 0 0 50 51 2 0 0 0 0 M END > DB03436 > drugbank > CC1=[O][Ga]2345ON1CCC[C@H]1NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCN(O2)C(C)=[O]3)NC(=O)C(CCCN(O4)C(C)=[O]5)NC1=O > InChI=1S/C28H44N9O13.Ga/c1-16(39)35(48)10-4-7-19-25(44)29-14-24(43)32-22(15-38)26(45)30-13-23(42)31-20(8-5-11-36(49)17(2)40)27(46)34-21(28(47)33-19)9-6-12-37(50)18(3)41;/h19-22,38H,4-15H2,1-3H3,(H,29,44)(H,30,45)(H,31,42)(H,32,43)(H,33,47)(H,34,46);/q-3;+3/t19-,20+,21?,22-;/m0./s1 > InChIKey=BEDMDXBTNSVNGS-NIAPTITASA-N > 0 > 71.48363196308946 > 0 > 0 > 783.231438451 > 0 > C28H44GaN9O13 > 0 > (8R,14S,20S)-14-(hydroxymethyl)-3,28,31-trimethyl-2$l^{3},29$l^{3},30$l^{3},36,37,40-hexaoxa-4,9,12,15,18,21,27,32,38-nonaaza-1$l^{6}-gallahexacyclo[18.9.6.2^{8,23}.1^{1,4}.1^{1,27}.1^{1,32}]tetraconta-2,28,30-triene-10,13,16,19,22,39-hexone > -1.59 > -1.41 > 784.424 > 0 > 6 > 0 > 334.65999999999997 > 199.4719 > 1 > 0 > 3.08e+01 g/l > gallichrome > 0 > DB03436 > experimental > Gallichrome $$$$