NP0003642 Mrv2104 05272322443D 74 77 0 0 0 0 999 V2000 -1.1131 -0.0625 3.4663 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8085 0.4273 2.4304 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1020 1.1658 2.5273 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8338 2.4056 1.6820 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8468 1.9271 0.5983 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7862 2.8709 0.3378 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0823 3.2665 1.2927 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 2.8589 2.4347 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8430 4.3998 0.7389 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1485 4.3876 0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0831 3.2905 0.5279 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9422 2.1216 -0.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9445 0.9835 -0.1647 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4388 1.4337 -0.1034 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4266 0.2754 -0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7502 2.3515 -1.1602 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6585 0.2652 -1.3802 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6176 -1.1563 -1.2265 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0374 -1.7861 -2.5010 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5212 -1.8672 -2.4454 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9734 -3.0594 -1.7052 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7754 -0.9088 -3.0307 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6895 -0.7215 -2.9241 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3640 -0.1995 -3.7969 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1050 -1.0563 -1.6797 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3987 -0.5775 -1.2956 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5224 -0.5671 0.2664 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3356 -2.0305 0.7918 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3815 -3.0173 0.2558 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7812 -2.4626 0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8824 -3.4585 0.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0302 -1.1550 0.4354 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9765 -0.0994 0.6368 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1289 0.3287 1.9963 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4679 0.4378 0.9487 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0011 0.1123 0.6557 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4825 0.0337 4.4827 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1616 -0.5653 3.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3780 1.4339 3.5516 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7527 2.7941 1.2289 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4051 3.2088 2.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3915 1.9495 -0.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2577 5.3005 0.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5953 5.3179 0.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9855 3.5082 1.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0458 1.9581 -0.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7329 0.3387 0.6985 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6151 1.9584 0.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4455 0.6367 -0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4409 -0.1671 -1.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2011 -0.4972 0.5558 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6987 2.5536 -1.1133 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0252 -1.4306 -0.3462 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6356 -1.5271 -1.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3585 -1.2154 -3.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4372 -2.8002 -2.6229 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 -2.9288 -0.6253 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5119 -3.9675 -1.9983 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 -3.2514 -1.9267 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2516 -0.1153 -3.6005 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5618 0.4243 -1.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1457 -1.2297 -1.7592 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4058 -2.0527 1.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3431 -2.4205 0.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3491 -3.9194 0.8794 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1127 -3.3309 -0.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7477 -3.9639 -0.9391 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8786 -4.2126 0.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8702 -2.9855 0.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0576 -0.7982 0.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2640 0.7442 -0.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2208 -0.9538 0.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2826 0.4315 -0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6844 0.6168 1.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 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 14 16 1 0 0 0 0 13 17 1 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 1 0 0 0 0 20 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 27 26 1 6 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 27 35 1 0 0 0 0 35 36 1 1 0 0 0 35 2 1 0 0 0 0 34 3 1 0 0 0 0 35 5 1 0 0 0 0 33 27 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 3 39 1 1 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 42 1 6 0 0 0 9 43 1 0 0 0 0 10 44 1 0 0 0 0 11 45 1 0 0 0 0 12 46 1 0 0 0 0 13 47 1 1 0 0 0 14 48 1 1 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 52 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 60 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 31 69 1 0 0 0 0 32 70 1 0 0 0 0 33 71 1 6 0 0 0 36 72 1 0 0 0 0 36 73 1 0 0 0 0 36 74 1 0 0 0 0 M END > NP0003642 > NP-MRD > [H]O[C@]([H])(C([H])([H])[H])[C@]1([H])OC([H])([H])C([H])([H])\C(=C([H])\C(=O)OC([H])([H])[C@]23C([H])([H])C([H])([H])C(=C([H])[C@@]2([H])O[C@@]2([H])C(=C([H])[H])[C@]3(C([H])([H])[H])[C@]([H])(OC(=O)\C([H])=C(\[H])/C(/[H])=C1\[H])C2([H])[H])C([H])([H])[H])C([H])([H])[H] > InChI=1/C29H38O7/c1-18-10-12-29-17-34-27(32)15-19(2)11-13-33-22(21(4)30)8-6-7-9-26(31)36-24-16-23(35-25(29)14-18)20(3)28(24,29)5/h6-9,14-15,21-25,30H,3,10-13,16-17H2,1-2,4-5H3/b8-6+,9-7-,19-15+/t21-,22-,23-,24-,25-,28-,29-/s2 > QRZOAFBSHUOELI-SENSWNLUNA-N > C29H38O7 > 498.616 > 498.261753564 > 5 > 74 > 54.07162115287828 > 1 > 1 > 0 > 0 > (1R,3R,8R,12E,17R,18E,20Z,24R,25S)-17-[(1R)-1-hydroxyethyl]-5,13,25-trimethyl-26-methylidene-2,10,16,23-tetraoxatetracyclo[22.2.1.0^{3,8}.0^{8,25}]heptacosa-4,12,18,20-tetraene-11,22-dione > 3.884363066333332 > 0 > 4 > 0 > 14.451743264523728 > -3.038607496097322 > 91.29000000000002 > 138.714 > 1 > 1 > (1R,3R,8R,12E,17R,18E,20Z,24R,25S)-17-[(1R)-1-hydroxyethyl]-5,13,25-trimethyl-26-methylidene-2,10,16,23-tetraoxatetracyclo[22.2.1.0^{3,8}.0^{8,25}]heptacosa-4,12,18,20-tetraene-11,22-dione > 0 > NP0003642 > 12,13-Deoxyroridin E $$$$