Mrv1652306242119503D 53 55 0 0 0 0 999 V2000 -6.8346 -1.0238 -0.2596 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6046 -0.4307 0.3982 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6630 -0.3217 1.8641 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5830 -0.0610 -0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3217 0.5268 0.0914 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1730 -0.3489 -0.2992 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4118 -1.6715 -0.5909 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3760 -2.4811 -0.9466 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5905 -3.7025 -1.2171 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 -2.0224 -1.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 -0.7357 -0.7573 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5155 -0.2629 -0.8268 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6093 -1.1334 -1.1890 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1965 -1.7859 0.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4332 -1.7304 0.4336 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5674 -1.0198 -0.2086 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7927 -2.4495 1.7166 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2940 -1.5617 2.6567 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6821 1.0416 -0.5243 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9242 1.5950 -0.5659 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 2.9406 -0.2538 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0580 3.7172 0.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7807 3.2036 0.1572 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3555 4.0387 0.5431 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5264 3.5920 0.6042 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1452 5.3639 0.8529 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6154 1.8646 -0.1594 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6334 1.4093 -0.0889 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8888 0.1327 -0.3722 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6499 -1.1051 0.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5839 -1.9888 -0.7335 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1091 -0.3089 -1.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7084 0.0206 2.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4528 0.4265 2.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9438 -1.2788 2.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7253 -0.2235 -1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1802 1.4811 -0.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3095 0.7954 1.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4478 -2.0576 -0.5328 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7111 -2.7206 -1.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4179 -0.6081 -1.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3359 -1.9558 -1.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5063 -2.3838 0.6684 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7908 -0.1099 0.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4093 -1.7467 -0.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3612 -0.7236 -1.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4862 -3.2572 1.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8894 -2.9433 2.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8413 -0.8343 2.2886 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7706 1.0257 -0.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1464 3.3275 -0.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2165 4.7546 0.3424 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4359 5.7315 1.7687 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 2 4 2 3 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 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 15 17 1 0 0 0 0 17 18 1 0 0 0 0 12 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 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 23 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 6 1 0 0 0 0 29 11 1 0 0 0 0 27 19 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 36 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 7 39 1 0 0 0 0 10 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 49 1 0 0 0 0 20 50 1 0 0 0 0 21 51 1 0 0 0 0 22 52 1 0 0 0 0 26 53 1 0 0 0 0 M END > NP0013828 > NP-MRD > [H]OC(=O)C1=C2N=C3C(=C([H])C(=O)C([H])=C3C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])N(C2=C([H])C([H])=C1[H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])O[H] > InChI=1S/C23H24N2O4/c1-14(2)7-8-16-11-17(27)12-20-21(16)24-22-18(23(28)29)5-4-6-19(22)25(20)10-9-15(3)13-26/h4-7,9,11-12,26H,8,10,13H2,1-3H3,(H,28,29)/b15-9+ > SBNSIPRBVZPJSK-UHFFFAOYSA-N > C23H24N2O4 > 392.455 > 392.173607261 > 6 > 53 > 43.374569514092556 > 1 > 2 > 0 > 1 > 5-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]-9-(3-methylbut-2-en-1-yl)-7-oxo-5,7-dihydrophenazine-1-carboxylic acid > 2.43 > 3.5428904513333337 > -4.03 > 1 > 3 > -1 > 15.166912565544386 > 4.711413774090146 > 1.5900667088482658 > 90.2 > 119.61689999999999 > 6 > 1 > 3.63e-02 g/l > 5-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]-9-(3-methylbut-2-en-1-yl)-7-oxophenazine-1-carboxylic acid > 0 > NP0013828 > Endophenazine F1 $$$$