Mrv1652306242119543D 60 64 0 0 0 0 999 V2000 -7.4884 0.9828 0.3814 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3519 0.5327 1.0809 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1005 0.5287 0.4766 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9776 0.9725 -0.8231 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7180 0.9519 -1.3851 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6121 0.5146 -0.7082 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7622 0.0779 0.5852 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0062 0.0784 1.1956 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1806 -0.3592 2.5035 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4732 -1.7125 2.8076 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5354 -0.3220 1.0981 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5223 -0.2831 0.1081 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5913 0.5424 0.6323 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2888 1.6221 1.2108 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9683 0.1868 0.5195 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8117 0.8131 1.3680 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0989 0.9456 0.8413 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5495 -0.4214 0.5389 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6412 -0.9123 1.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4692 -0.1396 1.9525 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1468 1.0836 2.2883 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9314 1.7334 1.7730 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2867 2.9585 1.1689 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7382 -1.3039 -0.3655 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3203 -0.7832 -0.4670 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1658 -0.0991 -2.1631 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6331 -1.3984 -3.3384 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3536 -1.9119 -0.3799 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7955 -3.0862 -0.4619 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0228 -1.6051 -0.2085 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9733 -2.6864 -0.3617 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1827 0.3919 -1.0661 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5128 2.0881 -1.1826 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2345 3.0032 -2.5451 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6741 0.3550 -0.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2658 2.0242 0.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3612 0.9738 1.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8219 1.3225 -1.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6233 1.2990 -2.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4704 -1.8605 3.8932 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4789 -1.9916 2.4419 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7219 -2.3414 2.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0185 1.4509 -0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9624 -1.9534 0.8024 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3957 -0.5771 2.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8052 1.6583 2.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3518 2.0704 2.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4651 2.8084 0.2103 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2504 -1.4000 -1.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7135 -2.3036 0.1046 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1510 -2.2342 -2.8345 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7022 -1.8430 -3.7785 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2971 -1.0201 -4.1422 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7588 -2.4585 -1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4013 -2.8665 0.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4974 -3.6267 -0.6729 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0771 -0.1516 -2.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1809 3.4675 -2.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5416 3.8601 -2.7716 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3742 2.3545 -3.4261 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 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 7 11 1 0 0 0 0 12 11 1 1 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 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 22 23 1 0 0 0 0 18 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 6 0 0 0 26 27 1 0 0 0 0 25 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 12 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 8 3 1 0 0 0 0 30 12 1 0 0 0 0 32 6 1 0 0 0 0 25 15 1 0 0 0 0 22 17 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 4 38 1 0 0 0 0 5 39 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 17 43 1 6 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 22 47 1 1 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 32 57 1 6 0 0 0 34 58 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 M END > NP0014258 > NP-MRD > [H]O[C@]1([H])C([H])=C([H])C([H])=C2C([H])([H])[C@]3(SC([H])([H])[H])N(O[C@@]12[H])C(=O)[C@]1(OC2=C(OC([H])([H])[H])C(OC([H])([H])[H])=C([H])C([H])=C2[C@@]1([H])SC([H])([H])[H])N(C3=O)C([H])([H])[H] > InChI=1S/C23H26N2O7S2/c1-24-20(27)22(34-5)11-12-7-6-8-14(26)16(12)32-25(22)21(28)23(24)19(33-4)13-9-10-15(29-2)18(30-3)17(13)31-23/h6-10,14,16,19,26H,11H2,1-5H3/t14-,16-,19-,22-,23+/m1/s1 > UJQYDWBSIBUUKS-KSVPPNQKSA-N > C23H26N2O7S2 > 506.59 > 506.118143533 > 7 > 60 > 51.20018422289153 > 1 > 1 > 0 > 0 > (1'R,2R,3R,8'R,14'R)-14'-hydroxy-6,7-dimethoxy-6'-methyl-3,8'-bis(methylsulfanyl)-3H-2'-oxa-3',6'-diazaspiro[1-benzofuran-2,5'-tricyclo[8.4.0.0^{3,8}]tetradecane]-10',12'-diene-4',7'-dione > 2.11 > 2.503097266 > -3.71 > 0 > 5 > 0 > 13.68017867382179 > -3.3760898480703494 > 97.77000000000001 > 129.6301 > 4 > 0 > 9.94e-02 g/l > (1'R,2R,3R,8'R,14'R)-14'-hydroxy-6,7-dimethoxy-6'-methyl-3,8'-bis(methylsulfanyl)-3H-2'-oxa-3',6'-diazaspiro[1-benzofuran-2,5'-tricyclo[8.4.0.0^{3,8}]tetradecane]-10',12'-diene-4',7'-dione > 0 > NP0014258 > Peniciadametizine A $$$$