5287662 -OEChem-10051720293D 70 74 0 1 0 0 0 0 0999 V2000 -2.2306 0.2594 -0.3024 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5561 -0.1075 -0.5931 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5031 2.6451 1.1744 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6713 -2.6860 0.0624 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3872 -0.9112 -1.5564 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -1.9024 -1.2148 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3769 2.4500 1.3710 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9565 -3.0376 -0.9935 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1279 -3.9275 0.4583 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9906 3.3297 0.0285 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4756 1.1299 -1.1463 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1966 2.4790 -1.2346 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4939 3.5921 0.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2771 -2.4737 0.4328 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0545 1.2463 -0.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2371 -0.4287 -1.0395 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3921 2.3861 0.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9840 -1.9359 -0.9725 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6846 -2.0534 0.8791 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7474 4.6559 -0.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8371 -0.5309 0.7477 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8320 0.1750 -0.8547 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7207 2.4415 0.4959 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1507 0.2358 -0.3901 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5953 1.3696 0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2317 4.4251 -0.2802 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2472 -0.0579 1.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4062 -4.4472 1.7969 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7827 -4.3115 0.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0606 -0.9048 -0.6217 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9855 1.4522 0.7783 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4504 -0.8247 -0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8968 0.3130 0.5474 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3236 -1.8981 -0.3408 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2166 0.3775 1.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6380 -1.8299 0.1221 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0835 -0.6945 0.7962 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4378 0.7675 -2.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8213 3.0355 -2.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2596 2.2813 -1.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3382 3.9605 1.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1453 4.3690 -0.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5554 -2.0179 1.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2239 -0.1482 -2.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9506 -2.1244 -1.2665 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6382 -2.4360 -1.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8773 -2.3237 1.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3602 5.2607 -0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6114 5.2390 0.8343 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1371 -0.0287 1.4275 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0611 3.3358 1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3664 3.2099 1.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4633 4.0496 -1.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6532 3.7389 0.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7637 5.3778 -0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5543 -0.3936 2.0797 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2880 1.0371 1.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9789 -0.4037 0.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5273 -2.6052 0.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8227 -3.9400 2.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1677 -5.5166 1.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4698 -4.3898 2.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9978 -3.7727 0.5746 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6397 -4.1747 -1.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6199 -5.3840 0.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5068 -0.8001 -1.9019 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5882 1.2515 1.5384 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3221 -2.6588 -0.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1073 -0.6437 1.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0307 -2.9900 -1.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 16 1 0 0 0 0 2 16 1 0 0 0 0 2 21 1 0 0 0 0 3 10 1 0 0 0 0 3 52 1 0 0 0 0 4 19 1 0 0 0 0 4 59 1 0 0 0 0 5 22 1 0 0 0 0 5 66 1 0 0 0 0 6 30 2 0 0 0 0 7 31 2 0 0 0 0 8 34 1 0 0 0 0 8 70 1 0 0 0 0 9 14 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 15 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 17 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 14 43 1 0 0 0 0 15 17 1 0 0 0 0 15 22 2 0 0 0 0 16 18 1 0 0 0 0 16 44 1 0 0 0 0 17 23 2 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 21 1 0 0 0 0 19 47 1 0 0 0 0 20 26 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 27 1 0 0 0 0 21 50 1 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 51 1 0 0 0 0 24 25 2 0 0 0 0 24 30 1 0 0 0 0 25 31 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 34 36 2 0 0 0 0 35 37 2 0 0 0 0 35 67 1 0 0 0 0 36 37 1 0 0 0 0 36 68 1 0 0 0 0 37 69 1 0 0 0 0 M END > DB04131 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BLGDWFJQIHBUJY-NWJGULHDSA-N/SDF?record_type=3d > [H][C@@]1(C[C@]([H])(N(C)C)[C@]([H])(O)[C@]([H])(C)O1)O[C@@]1([H])C[C@](O)(CC)CC2=CC3=C(C(O)=C12)C(=O)C1=C(C=CC=C1O)C3=O > InChI=1S/C28H33NO8/c1-5-28(35)11-14-9-16-23(27(34)22-15(25(16)32)7-6-8-18(22)30)26(33)21(14)19(12-28)37-20-10-17(29(3)4)24(31)13(2)36-20/h6-9,13,17,19-20,24,30-31,33,35H,5,10-12H2,1-4H3/t13-,17-,19-,20-,24+,28-/m0/s1 > BLGDWFJQIHBUJY-NWJGULHDSA-N > C28H33NO8 > 511.5635 > 511.220617037 > 9 > 70 > 0.7393415524775659 > 54.75204892023706 > 1 > 4 > 0 > 0 > (8S,10S)-10-{[(2R,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy}-8-ethyl-1,8,11-trihydroxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione > 2.70 > 2.7390059751751377 > -3.32 > 0 > 1 > 5 > 0 > 8.310925422268468 > 7.632820757182929 > 9.100341067559738 > 136.76 > 135.98429999999993 > 4 > 0 > 2.44e-01 g/l > biotin > 0 $$$$