Mrv1652306242119503D 62 65 0 0 0 0 999 V2000 -3.0282 -0.2830 2.5587 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1047 0.2374 1.2414 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1275 1.6217 1.3024 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8191 2.1605 0.7258 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5442 1.5367 -0.5217 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5297 0.5711 -0.6162 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 0.3116 0.4259 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2714 -0.0437 -1.9001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8674 0.4713 -3.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6644 -0.1495 -4.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1275 -1.2764 -4.3096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7235 -1.7856 -3.1468 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4617 -2.9007 -3.1871 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0009 -3.3996 -2.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6941 -4.5959 -2.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2064 -5.1896 -0.9897 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0191 -4.5673 0.2343 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3289 -3.3638 0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2761 -2.6000 1.6055 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5323 -1.9557 1.9267 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 -0.7301 1.8339 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1105 0.4341 1.3441 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2928 -0.3505 2.3474 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0498 0.6176 3.3426 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8323 -2.8101 -0.8101 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0737 -1.6681 -0.7915 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5384 -1.1812 -1.9248 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8053 3.5061 0.5802 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8490 4.0704 -0.0897 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7146 3.9676 -1.6018 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2154 3.6353 0.3250 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6627 4.3020 1.4759 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3087 2.1403 0.5594 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4656 1.4970 -0.6592 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0391 -1.3828 2.5715 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9905 -0.0086 2.9336 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7306 0.1879 3.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1228 1.8923 2.4019 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0537 1.8135 1.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4995 1.3709 -2.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0971 0.1975 -5.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3109 -1.7932 -5.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8648 -5.1117 -3.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7594 -6.1393 -1.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4177 -5.0339 1.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4781 -1.8402 1.5045 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9424 -3.2916 2.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3185 -2.6637 2.3255 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3008 0.6163 2.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7014 1.3731 1.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7556 0.2784 0.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7756 -1.2498 2.7576 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9170 0.0377 1.5321 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8822 1.1836 3.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8044 5.1814 0.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4144 3.1798 -1.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0846 4.9133 -2.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6848 3.8388 -1.9346 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9234 3.8779 -0.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5062 3.8692 1.8136 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2210 1.9508 1.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5095 0.5228 -0.5926 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 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 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 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 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 18 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 4 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 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 3 1 0 0 0 0 27 8 1 0 0 0 0 27 12 1 0 0 0 0 25 14 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 3 38 1 1 0 0 0 4 39 1 1 0 0 0 9 40 1 0 0 0 0 10 41 1 0 0 0 0 11 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 54 1 0 0 0 0 29 55 1 6 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 31 59 1 6 0 0 0 32 60 1 0 0 0 0 33 61 1 1 0 0 0 34 62 1 0 0 0 0 M END > NP0013825 > NP-MRD > [H]OC([H])([H])C(=C(/[H])C([H])([H])C1=C2N=C3C(=NC2=C([H])C([H])=C1[H])C([H])=C([H])C([H])=C3C(=O)O[C@@]1([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])OC([H])([H])[H])\C([H])([H])[H] > InChI=1S/C25H28N2O7/c1-13(12-28)10-11-15-6-4-8-17-19(15)27-20-16(7-5-9-18(20)26-17)24(31)34-25-23(32-3)22(30)21(29)14(2)33-25/h4-10,14,21-23,25,28-30H,11-12H2,1-3H3/b13-10+/t14-,21-,22+,23+,25+/m0/s1 > LXDYYKKSSHBWGU-PFTASDMBSA-N > C25H28N2O7 > 468.506 > 468.18965125 > 8 > 62 > 48.87105245995239 > 1 > 3 > 0 > 1 > (2R,3R,4R,5R,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl 9-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]phenazine-1-carboxylate > 2.56 > 2.787602905666666 > -3.43 > 1 > 4 > 0 > 14.150412278044957 > 12.751970106844684 > -0.18604877035859035 > 131.23000000000002 > 122.06900000000003 > 7 > 1 > 1.75e-01 g/l > (2R,3R,4R,5R,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl 9-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]phenazine-1-carboxylate > 0 > NP0013825 > Endophenazine C $$$$