445646 -OEChem-10051721223D 70 71 0 1 0 0 0 0 0999 V2000 -2.2930 1.5082 -0.8258 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8650 -1.9211 0.0522 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3069 -1.1153 1.7138 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1375 0.8556 -2.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8464 -3.2995 0.1754 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7385 -3.2602 -0.0457 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4169 -0.4309 0.9438 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4520 -0.4646 -0.1115 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8566 -0.5581 0.4974 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0885 0.4904 1.5836 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6161 0.5323 2.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0034 0.4028 2.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1899 -2.1959 -1.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2502 -1.1974 0.9359 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3544 0.7038 -1.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1712 -2.3065 -0.0744 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1609 -2.8135 -0.8292 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3159 3.4504 0.8016 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2386 2.6187 -0.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1030 4.0347 0.0729 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5514 2.3009 0.6289 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1777 2.9771 -0.5303 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5380 1.5063 -0.2298 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1267 3.6086 -1.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7669 -3.0251 -2.4125 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -0.7535 -1.7319 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0457 2.6039 -1.7199 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1618 0.0415 -0.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1632 -0.8187 0.7941 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7607 -1.2154 1.2525 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1515 -2.2596 0.3453 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2944 -1.3501 -0.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9819 -1.5538 0.9425 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6270 -0.4586 -0.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0717 0.3358 2.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0943 1.4935 1.1405 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4722 1.5415 1.6354 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8582 0.3883 2.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1524 1.1877 3.4007 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0840 -0.5606 3.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9764 2.8356 1.6443 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8823 4.2860 1.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4560 3.1719 -1.0153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7336 1.6902 -0.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0097 -3.7675 -0.3093 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7813 -2.9903 -1.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5392 4.6433 0.7909 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4433 4.7158 -0.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3485 1.7763 1.5687 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0344 3.2476 0.9033 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6812 2.4748 -1.3641 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 2.2158 0.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5221 1.5358 0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6599 2.0090 -1.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6555 4.0377 -0.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9073 4.4285 -1.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7666 -2.6716 -2.6913 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1282 -2.9619 -3.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8581 -4.0843 -2.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3128 -0.0815 -0.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7534 -0.6995 -2.5224 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9348 -0.3590 -2.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9861 3.0970 -1.9905 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5710 2.2125 -2.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9151 -0.3712 -1.1628 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2060 -0.0236 -1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6740 -0.2953 1.6107 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7498 -1.7259 0.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1129 -0.3337 1.3016 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7998 -1.6483 2.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 27 1 0 0 0 0 2 17 1 0 0 0 0 2 31 1 0 0 0 0 3 14 2 0 0 0 0 4 15 2 0 0 0 0 5 16 2 0 0 0 0 6 31 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 16 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 21 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 22 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 23 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 24 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 28 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 27 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 28 29 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 29 30 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 30 31 1 0 0 0 0 30 69 1 0 0 0 0 30 70 1 0 0 0 0 M END > DB08520 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VUCSBBBCFXBFFY-IBGZPJMESA-N/SDF?record_type=3d > [H][C@@]12CCCCN1C(=O)C(=O)C(C)(C)COC(=O)CCCCCCCCCCCOC2=O > InChI=1S/C24H39NO6/c1-24(2)18-31-20(26)15-10-8-6-4-3-5-7-9-13-17-30-23(29)19-14-11-12-16-25(19)22(28)21(24)27/h19H,3-18H2,1-2H3/t19-/m0/s1 > VUCSBBBCFXBFFY-IBGZPJMESA-N > C24H39NO6 > 437.5696 > 437.277737985 > 4 > 70 > 2.362793653846464e-10 > 48.72870729889763 > 1 > 0 > 0 > 1 > (24aS)-17,17-dimethyl-docosahydropyrido[2,1-c]1,9-dioxa-4-azacyclohenicosane-1,14,18,19-tetrone > 3.86 > 5.135926219666667 > -5.44 > 0 > 0 > 2 > 0 > -2.6265466114035494 > 89.97999999999999 > 116.67819999999996 > 0 > 0 > 1.57e-03 g/l > biotin > 0 $$$$