Mrv1909 02062023052D 63 70 0 0 1 0 999 V2000 7.7463 0.8290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7463 -0.8290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9173 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5754 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7463 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5189 1.7643 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2281 2.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2281 3.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5885 3.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2784 3.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9491 3.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9491 2.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2784 1.8366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5885 2.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9131 1.8366 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9952 3.4383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9952 4.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5864 4.3067 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5864 3.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 3.1006 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8000 2.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1052 3.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1052 4.3647 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8242 4.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3384 5.0545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6714 4.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3276 4.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0289 2.6219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 0.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7665 0.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1029 0.6836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1029 -0.1076 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7591 -0.6142 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2898 -1.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0087 -1.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2054 -1.9651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1198 -1.6297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5551 -0.1944 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5551 0.7076 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8459 1.0888 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8459 1.9138 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 2.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2836 1.9138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2836 1.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4179 1.9138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4179 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8459 0.3506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 0.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8771 0.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3703 -0.6672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9582 -0.7228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5385 -0.4067 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7665 -0.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 -0.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3321 -0.5467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1039 -0.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1766 -1.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5189 0.7415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8579 0.4134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0543 0.2060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8793 0.6595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5 1 1 0 0 0 0 5 2 1 0 0 0 0 5 3 2 0 0 0 0 5 4 2 0 0 0 0 7 6 1 0 0 0 0 8 7 2 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 11 10 2 0 0 0 0 12 11 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 7 1 0 0 0 0 14 9 2 0 0 0 0 16 8 1 0 0 0 0 17 16 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 6 1 0 0 0 0 22 20 1 0 0 0 0 23 22 1 0 0 0 0 24 23 1 0 0 0 0 24 18 1 0 0 0 0 23 25 1 1 0 0 0 23 26 1 6 0 0 0 27 26 1 0 0 0 0 20 28 1 6 0 0 0 6 29 1 6 0 0 0 30 29 1 0 0 0 0 31 30 2 0 0 0 0 32 31 1 0 0 0 0 33 32 1 0 0 0 0 34 33 1 0 0 0 0 34 35 1 6 0 0 0 36 35 2 0 0 0 0 37 35 1 0 0 0 0 34 38 1 1 0 0 0 39 34 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 32 1 0 0 0 0 42 41 1 0 0 0 0 43 42 1 0 0 0 0 44 43 1 0 0 0 0 44 45 2 0 0 0 0 45 40 1 0 0 0 0 46 42 1 0 0 0 0 46 47 1 0 0 0 0 32 47 1 1 0 0 0 41 48 1 6 0 0 0 40 49 1 6 0 0 0 50 49 1 0 0 0 0 39 51 1 1 0 0 0 33 52 1 1 0 0 0 53 33 1 0 0 0 0 53 54 1 0 0 0 0 54 55 2 0 0 0 0 55 56 1 0 0 0 0 56 29 2 0 0 0 0 57 56 1 0 0 0 0 58 57 1 0 0 0 0 31 54 1 0 0 0 0 59 53 1 0 0 0 0 6 60 1 1 0 0 0 61 60 2 0 0 0 0 62 60 1 0 0 0 0 63 62 1 0 0 0 0 M END > DBSALT000440 > drugbank > OS(O)(=O)=O.[H][C@@]12N3CC[C@@]11C4=CC(=C(OC)C=C4N(C)[C@@]1([H])[C@](O)([C@H](O)[C@]2(CC)C=CC3)C(N)=O)[C@]1(C[C@@]2([H])CN(C[C@](O)(CC)C2)CCC2=C1NC1=C2C=CC=C1)C(=O)OC > InChI=1S/C43H55N5O7.H2O4S/c1-6-39(52)21-25-22-42(38(51)55-5,33-27(13-17-47(23-25)24-39)26-11-8-9-12-30(26)45-33)29-19-28-31(20-32(29)54-4)46(3)35-41(28)15-18-48-16-10-14-40(7-2,34(41)48)36(49)43(35,53)37(44)50;1-5(2,3)4/h8-12,14,19-20,25,34-36,45,49,52-53H,6-7,13,15-18,21-24H2,1-5H3,(H2,44,50);(H2,1,2,3,4)/t25-,34-,35+,36+,39-,40+,41+,42-,43-;/m0./s1 > COFJBSXICYYSKG-OAUVCNBTSA-N > C43H57N5O11S > 852.01 > 851.377528849 > 9 > 117 > 1.8862713069951613 > 81.99547398005423 > 1 > 5 > 0 > 0 > methyl (13S,15R,17S)-13-[(1R,9R,10S,11R,12R,19R)-10-carbamoyl-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.0^{1,9}.0^{2,7}.0^{16,19}]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.0^{4,12}.0^{5,10}]nonadeca-4(12),5(10),6,8-tetraene-13-carboxylate; sulfuric acid > 3.53 > 2.789183207999999 > -4.03 > 1 > 2 > 9 > 2 > 13.861704060660195 > 11.342997458827782 > 8.676353628093905 > 164.82 > 210.32219999999992 > 7 > 0 > 7.00e-02 g/l > cefazolin sodium > 0 > DBSALT000440 > Vindesine sulfate > DB00309 > Vindesine > 59917-39-4 > CPH2U7DNDY $$$$