Mrv1652306242119543D 57 63 0 0 0 0 999 V2000 -5.9303 0.4044 0.9012 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9323 1.1369 0.6932 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0586 2.5732 0.6247 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7726 3.1176 0.3816 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6158 4.3432 0.2802 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8484 2.0259 0.2989 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5419 0.8128 0.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8492 -0.3972 0.4496 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2907 -1.7197 0.5892 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5082 -2.3101 0.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6322 -3.6940 0.9083 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5082 -4.4748 0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2850 -3.8659 0.5363 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1467 -2.4855 0.4429 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0703 -1.7087 0.2283 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4808 -0.4362 0.2306 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 0.7513 0.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4802 1.9619 0.0822 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 2.9491 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5959 4.3207 -0.2214 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5494 5.0925 -0.4652 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7347 4.4313 -0.6158 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7953 3.0319 -0.5283 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6746 2.2895 -0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5144 0.9773 -0.1773 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5404 -0.0159 -0.2428 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8286 0.5152 0.0950 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6162 -0.5725 0.4226 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8402 -0.1982 1.2179 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3757 0.4144 2.4031 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9189 -1.3599 -0.8051 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8320 -2.3833 -0.5936 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5828 -1.9318 -1.3069 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7394 -2.6817 -2.4475 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7228 -0.6826 -1.5585 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5903 -0.9527 -2.2768 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9658 3.0914 0.7402 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4003 -1.7550 0.9332 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6022 -4.1329 1.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5614 -5.5483 0.8299 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4298 -4.5175 0.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1423 -2.1585 0.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4808 4.8790 -0.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5014 6.1691 -0.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6296 4.9979 -0.8039 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7408 2.5395 -0.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.7992 0.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9823 -1.2269 1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3249 -1.1437 1.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5064 0.4891 0.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6612 -0.1507 2.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2641 -0.6612 -1.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6961 -1.9508 -0.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1662 -2.4793 -0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6451 -3.1034 -2.4016 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3822 -0.0760 -2.2558 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6969 -1.7408 -2.8598 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 28 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 7 2 1 0 0 0 0 16 8 2 0 0 0 0 25 17 1 0 0 0 0 35 26 1 0 0 0 0 18 6 1 0 0 0 0 24 19 1 0 0 0 0 14 9 1 0 0 0 0 3 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 15 42 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 26 47 1 1 0 0 0 28 48 1 1 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 6 0 0 0 32 53 1 0 0 0 0 33 54 1 1 0 0 0 34 55 1 0 0 0 0 35 56 1 6 0 0 0 36 57 1 0 0 0 0 M END > NP0014298 > NP-MRD > [H]OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C3=C([H])C([H])=C([H])C([H])=C3C3=C2C2=C(C4=C([H])C([H])=C([H])C([H])=C4N2[H])C2=C3C(=O)N([H])C2=O)[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H] > InChI=1S/C26H21N3O7/c30-9-14-21(31)22(32)23(33)26(36-14)29-13-8-4-2-6-11(13)16-18-17(24(34)28-25(18)35)15-10-5-1-3-7-12(10)27-19(15)20(16)29/h1-8,14,21-23,26-27,30-33H,9H2,(H,28,34,35)/t14-,21-,22+,23-,26-/m1/s1 > FAKJOUAYZNXZGV-QCUUGYDUSA-N > C26H21N3O7 > 487.468 > 487.137950028 > 7 > 57 > 50.29067757479653 > 1 > 6 > 0 > 0 > 3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaene-12,14-dione > 1.13 > 0.7384167013333336 > -3.47 > 0 > 7 > 0 > 12.34448404273018 > 8.034739384379522 > -2.9804971885063685 > 157.04 > 126.70200000000001 > 2 > 0 > 1.66e-01 g/l > 3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaene-12,14-dione > 0 > NP0014298 > BMY-41219 $$$$