Mrv1652306242117263D 57 59 0 0 0 0 999 V2000 4.4824 -0.5630 1.6099 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1328 -1.5965 0.6426 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9192 -2.7413 0.5855 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 -3.7397 -0.3054 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5563 -3.6003 -1.1453 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7612 -2.4357 -1.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7095 -2.3740 -1.9525 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0310 -1.4220 -0.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2837 -0.1968 -0.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5746 0.7015 0.7746 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1779 0.0950 -0.8227 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4337 1.2569 -0.7180 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9965 1.0379 -0.2856 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1741 -0.0636 0.5866 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0032 -1.1428 0.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6012 -1.1351 -0.9252 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2234 -2.3150 1.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6480 -2.4459 2.3095 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9124 -3.5936 3.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7356 -4.5960 2.6115 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3116 -4.4621 1.3755 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1488 -5.4388 0.8638 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0452 -3.3375 0.6456 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4673 2.3540 0.2986 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4812 3.3577 -0.8291 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7012 4.6378 -0.2153 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8629 5.3509 -0.4676 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0871 6.6263 0.1411 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6981 4.8270 -1.2478 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1927 3.4467 -1.5712 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4407 4.2049 -2.7382 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3900 2.1044 -1.9462 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6928 2.3195 -2.4205 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4139 -0.8829 2.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7463 -0.3853 2.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8219 0.3692 1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7580 -2.8447 1.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2481 -4.6325 -0.3472 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3154 -4.3707 -1.8494 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0506 -1.6659 -2.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9045 1.8852 0.0933 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5793 0.8855 -1.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6990 -0.0840 1.5029 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9986 -1.6809 2.6982 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4569 -3.7010 4.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 -5.4940 3.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1467 -5.3552 1.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5115 -3.2551 -0.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5009 2.2896 0.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7328 2.6801 1.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3474 3.0905 -1.4789 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3739 7.3728 0.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9518 6.8502 0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5469 4.0082 -0.9895 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1637 4.8424 -2.6158 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2683 1.6860 -2.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8253 3.2716 -2.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 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 1 0 0 0 0 15 16 2 0 0 0 0 15 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 1 0 0 0 0 21 23 2 0 0 0 0 13 24 1 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 27 29 2 0 0 0 0 25 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 8 2 1 0 0 0 0 32 12 1 0 0 0 0 23 17 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 3 37 1 0 0 0 0 4 38 1 0 0 0 0 5 39 1 0 0 0 0 7 40 1 0 0 0 0 12 41 1 1 0 0 0 13 42 1 6 0 0 0 14 43 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 6 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 30 54 1 1 0 0 0 31 55 1 0 0 0 0 32 56 1 6 0 0 0 33 57 1 0 0 0 0 M END > NP0016097 > NP-MRD > [H]OC1=C([H])C(=C([H])C([H])=C1[H])C(=O)N([H])[C@@]1([H])C([H])([H])[C@@]([H])(OC(=O)N([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])OC(=O)C1=C(O[H])C([H])=C([H])C([H])=C1C([H])([H])[H] > InChI=1S/C22H24N2O9/c1-10-4-2-7-14(26)16(10)21(30)33-19-13(9-15(32-22(23)31)17(27)18(19)28)24-20(29)11-5-3-6-12(25)8-11/h2-8,13,15,17-19,25-28H,9H2,1H3,(H2,23,31)(H,24,29)/t13-,15+,17-,18+,19+/m0/s1 > SAMSFFYLHHWKPS-AVCZALEUSA-N > C22H24N2O9 > 460.439 > 460.148180361 > 7 > 57 > 45.89737111958226 > 1 > 6 > 0 > 1 > (1R,2R,3R,4R,6S)-4-(carbamoyloxy)-2,3-dihydroxy-6-(3-hydroxybenzamido)cyclohexyl 2-hydroxy-6-methylbenzoate > 0.51 > 1.6335947449999995 > -2.60 > 1 > 3 > 0 > 9.890371604892742 > 8.785063245757089 > -0.8990311997660919 > 188.64 > 113.10289999999999 > 7 > 0 > 1.16e+00 g/l > (1R,2R,3R,4R,6S)-4-(carbamoyloxy)-2,3-dihydroxy-6-(3-hydroxybenzamido)cyclohexyl 2-hydroxy-6-methylbenzoate > 0 > NP0016097 > Nabscessin B $$$$