Mrv1652306192118543D 48 49 0 0 0 0 999 V2000 4.8712 -4.0511 -2.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8811 -4.6938 -1.2381 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8312 -3.8397 -0.9467 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8481 -3.0077 0.1145 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2805 -2.9047 1.3284 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.6926 -2.0900 0.4443 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0749 -0.7805 -0.0027 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3301 -2.5300 -0.1886 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4816 -3.3844 -1.4225 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6359 -3.9752 -1.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6708 -5.0678 -3.3041 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.6475 -1.3811 -0.4332 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3423 -1.4252 0.8685 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2262 -0.2850 1.3201 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5023 0.6181 0.5475 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6537 -0.4121 2.6208 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6170 0.4727 3.2355 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2164 1.9554 3.3447 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3775 2.6712 3.7995 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0867 2.2542 4.3415 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7152 1.6873 3.9871 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2818 2.1527 2.6903 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6216 1.5654 1.8874 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4315 0.6159 2.1891 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5915 2.0449 0.6389 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2075 -2.5136 1.5592 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3600 -3.3557 0.7924 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4412 -3.6453 -2.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6171 -4.8026 -2.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3805 -3.2552 -1.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5689 -2.0578 1.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0465 -0.2198 0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4128 -3.5595 -2.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3890 -1.5972 -1.2104 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1917 -0.4138 -0.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3905 -1.2736 3.0942 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8434 0.0711 4.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5440 0.3939 2.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9703 2.3553 2.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2203 3.6179 3.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3778 1.8933 5.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0014 3.3445 4.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0119 2.0110 4.7406 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7396 0.5941 4.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6229 3.0569 2.3893 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3300 0.4128 3.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2418 2.4778 0.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2448 1.6625 -0.0346 H 0 0 0 0 0 0 0 0 0 0 0 0 14 16 1 0 0 0 0 13 12 1 0 0 0 0 16 17 1 0 0 0 0 8 12 1 0 0 0 0 17 18 1 0 0 0 0 8 27 1 1 0 0 0 18 20 1 0 0 0 0 4 3 2 0 0 0 0 20 21 1 0 0 0 0 6 8 1 0 0 0 0 21 22 1 0 0 0 0 8 9 1 0 0 0 0 22 23 1 0 0 0 0 9 10 2 0 0 0 0 23 25 1 0 0 0 0 10 3 1 0 0 0 0 14 15 2 0 0 0 0 27 26 1 0 0 0 0 18 19 1 0 0 0 0 6 31 1 1 0 0 0 23 24 2 3 0 0 0 6 7 1 0 0 0 0 3 2 1 0 0 0 0 4 6 1 0 0 0 0 10 11 1 0 0 0 0 26 13 2 0 0 0 0 4 5 1 0 0 0 0 13 14 1 0 0 0 0 2 1 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 9 33 1 0 0 0 0 7 32 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 6 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 19 40 1 0 0 0 0 24 46 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 M END > NP0024566 > NP-MRD > [H]O[C@]([H])(C([H])([H])N([H])C(=O)C1=NO[C@@]2(C([H])=C(Br)C(OC([H])([H])[H])=C(Br)[C@@]2([H])O[H])C1([H])[H])C([H])([H])C([H])([H])N([H])C(=N[H])N([H])[H] > InChI=1S/C15H21Br2N5O5/c1-26-11-8(16)4-15(12(24)10(11)17)5-9(22-27-15)13(25)21-6-7(23)2-3-20-14(18)19/h4,7,12,23-24H,2-3,5-6H2,1H3,(H,21,25)(H4,18,19,20)/t7-,12+,15-/m0/s1 > RXBVKUAAUFHYBW-OOYYTLRYSA-N > C15H21Br2N5O5 > 511.171 > 508.990945 > 9 > 48 > 42.141675330133566 > 0 > 6 > 0 > 0 > (5R,10S)-7,9-dibromo-N-[(2S)-4-carbamimidamido-2-hydroxybutyl]-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide > -0.09 > -1.8843223467324832 > -3.68 > 0 > 2 > 1 > 13.164502086007168 > 12.454116069274068 > 11.859736032535915 > 162.28 > 116.54759999999999 > 7 > 0 > 1.07e-01 g/l > (5R,10S)-7,9-dibromo-N-[(2S)-4-carbamimidamido-2-hydroxybutyl]-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide > 0 > NP0024566 > Caissarine A $$$$