Mrv1652307042107213D 85 88 0 0 0 0 999 V2000 3.1548 -4.5704 2.4423 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3718 -4.1937 1.2195 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3243 -3.3833 1.2737 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0128 -2.8924 2.6731 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4711 -2.9297 0.1965 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0327 -1.5521 0.4144 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9278 -0.4937 0.7291 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2387 -0.5615 0.7051 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 0.5168 1.0266 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4385 0.3817 0.9841 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9803 -0.9427 0.5865 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3984 1.4503 1.3100 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0662 1.1633 2.4757 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3454 1.8246 0.2282 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6371 2.3241 -1.0208 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1240 3.0434 0.7471 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2311 4.0925 1.0197 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8599 -1.0207 -0.7635 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7771 0.0297 -0.2957 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2149 -0.0537 -0.6643 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7112 1.1732 -1.1896 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6375 1.9798 -0.5951 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0891 1.6136 0.4992 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0402 3.2308 -1.2902 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.0510 3.9875 -0.5102 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4013 3.7787 -0.6889 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3518 4.4846 0.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9681 5.4303 0.9731 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6200 5.6396 1.1524 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6865 4.9357 0.4287 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6633 -1.2282 -1.4517 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8653 -1.0123 -2.2968 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9063 -2.3309 -0.6092 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5263 -1.6999 -2.3723 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4925 -2.2193 -1.3959 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3636 -2.9370 -2.1127 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2671 -4.2656 -1.8204 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7217 -3.3331 -1.2015 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0438 -3.5445 -1.8519 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4951 -4.7092 3.3164 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6752 -5.5495 2.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9436 -3.8579 2.6748 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6550 -4.5879 0.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3275 -3.5993 3.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5213 -1.9068 2.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9460 -2.7548 3.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4936 -3.5645 0.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8166 -1.5190 1.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5671 0.5095 1.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6746 -1.5025 0.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7237 1.4689 1.3128 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5412 -1.7598 1.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8822 -1.1259 -0.5005 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0920 -1.0117 0.7864 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7745 2.3675 1.5381 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7989 0.5122 2.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0802 1.0436 0.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9597 1.5379 -1.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3539 2.5881 -1.8173 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0872 3.2526 -0.7578 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5785 2.7919 1.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9384 3.3277 0.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6241 4.6543 1.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1605 -0.6088 -1.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3876 1.0273 -0.7208 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7140 0.1615 0.8308 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7909 -0.1324 0.3194 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1864 3.8311 -1.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5663 2.8934 -2.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7754 3.0541 -1.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3989 4.3197 -0.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6969 5.9916 1.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2941 6.3610 1.8661 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6228 5.0871 0.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3604 -2.0094 -2.4383 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6315 -0.6714 -3.3413 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6381 -0.3681 -1.8284 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9230 -1.9764 0.3154 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1144 -0.8016 -2.8636 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8622 -2.4375 -3.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0354 -2.8759 -0.6932 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0942 -2.6213 -3.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8849 -2.9680 -1.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2908 -4.6247 -2.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0530 -3.1522 -2.9264 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 3 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 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 6 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 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 20 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 1 0 0 0 31 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 6 0 0 0 38 5 1 0 0 0 0 35 18 1 0 0 0 0 38 36 1 0 0 0 0 30 25 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 2 43 1 0 0 0 0 4 44 1 0 0 0 0 4 45 1 0 0 0 0 4 46 1 0 0 0 0 5 47 1 1 0 0 0 6 48 1 1 0 0 0 7 49 1 0 0 0 0 8 50 1 0 0 0 0 9 51 1 0 0 0 0 11 52 1 0 0 0 0 11 53 1 0 0 0 0 11 54 1 0 0 0 0 12 55 1 1 0 0 0 13 56 1 0 0 0 0 14 57 1 6 0 0 0 15 58 1 0 0 0 0 15 59 1 0 0 0 0 15 60 1 0 0 0 0 16 61 1 0 0 0 0 16 62 1 0 0 0 0 17 63 1 0 0 0 0 18 64 1 6 0 0 0 19 65 1 0 0 0 0 19 66 1 0 0 0 0 20 67 1 1 0 0 0 24 68 1 0 0 0 0 24 69 1 0 0 0 0 26 70 1 0 0 0 0 27 71 1 0 0 0 0 28 72 1 0 0 0 0 29 73 1 0 0 0 0 30 74 1 0 0 0 0 32 75 1 0 0 0 0 32 76 1 0 0 0 0 32 77 1 0 0 0 0 33 78 1 0 0 0 0 34 79 1 0 0 0 0 34 80 1 0 0 0 0 35 81 1 1 0 0 0 36 82 1 6 0 0 0 39 83 1 0 0 0 0 39 84 1 0 0 0 0 39 85 1 0 0 0 0 M END > NP0016287 > NP-MRD > [H]OC([H])([H])[C@]([H])(C([H])([H])[H])[C@]([H])(O[H])C(=C(/[H])\C(\[H])=C(/[H])[C@]1([H])[C@]([H])(C(=C(/[H])C([H])([H])[H])\C([H])([H])[H])[C@]2(O[C@@]2([H])[C@]2([H])C([H])([H])[C@](O[H])(C([H])([H])[H])[C@]([H])(OC(=O)C([H])([H])C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])([H])[C@@]12[H])C([H])([H])[H])\C([H])([H])[H] > InChI=1S/C33H46O6/c1-7-20(2)29-24(15-11-12-21(3)30(36)22(4)19-34)25-17-27(38-28(35)16-23-13-9-8-10-14-23)32(5,37)18-26(25)31-33(29,6)39-31/h7-15,22,24-27,29-31,34,36-37H,16-19H2,1-6H3/b15-11+,20-7+,21-12+/t22-,24-,25-,26+,27+,29-,30+,31-,32+,33+/m0/s1 > AOBUBCCLDFTBKJ-FSWFDHHQSA-N > C33H46O6 > 538.725 > 538.329439201 > 5 > 85 > 62.69466764264962 > 1 > 3 > 0 > 0 > (1aR,3S,3aS,5R,6R,7aR,7bS)-2-[(2E)-but-2-en-2-yl]-3-[(1E,3E,5S,6S)-5,7-dihydroxy-4,6-dimethylhepta-1,3-dien-1-yl]-6-hydroxy-1a,6-dimethyl-decahydronaphtho[1,2-b]oxiren-5-yl 2-phenylacetate > 5.00 > 4.168431896666667 > -5.07 > 1 > 4 > 0 > 14.44053813978751 > 13.820092136130953 > -2.62912724451873 > 99.52 > 155.2867 > 10 > 0 > 4.59e-03 g/l > (1aR,3S,3aS,5R,6R,7aR,7bS)-2-[(2E)-but-2-en-2-yl]-3-[(1E,3E,5S,6S)-5,7-dihydroxy-4,6-dimethylhepta-1,3-dien-1-yl]-6-hydroxy-1a,6-dimethyl-octahydronaphtho[1,2-b]oxiren-5-yl phenylacetate > 0 > NP0016287 > Fusarielin J $$$$