Mrv1652307042107073D 99 98 0 0 0 0 999 V2000 9.2565 2.8426 0.8342 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2148 2.2349 -0.0618 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5367 1.0651 0.6174 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6613 1.4074 1.4457 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8996 -0.3032 0.3054 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0307 -0.3880 -0.7374 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4142 -1.4087 0.7774 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3551 -1.5587 1.7572 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9540 -2.2251 3.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1992 -2.4132 1.3590 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6565 -3.7332 1.0643 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3093 -2.0006 0.3069 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2090 -2.9482 -0.1265 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3410 -0.8521 -0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3830 -0.4786 -1.4091 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1611 -0.3459 -2.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6242 0.7310 -0.9660 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9154 0.4760 0.1885 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8834 1.4258 -2.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7002 2.2475 -2.9937 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6031 1.3792 -2.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4140 0.6363 -1.4578 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1696 -0.2983 -2.4231 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4161 1.6284 -0.8643 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8001 2.5097 -0.0152 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4041 0.8189 -0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7984 0.0595 1.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6503 0.8778 -0.3645 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8671 0.2568 0.1739 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6045 -0.8011 1.1564 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7921 1.3471 0.6416 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2362 2.1296 1.6314 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1597 0.9257 1.0263 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.8994 2.1979 1.4708 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9715 0.3895 -0.1354 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.3573 -0.0245 0.2734 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.0634 -0.5351 -0.9913 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3720 -1.1946 1.2334 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.7339 -2.4252 0.6392 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9828 3.4180 0.2282 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8063 3.5345 1.5612 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8011 2.0786 1.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6293 1.9082 -1.0352 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4350 3.0052 -0.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4154 -1.4053 -0.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8034 0.3569 -0.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5755 -0.1363 -1.7044 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8965 -2.3348 0.3538 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0278 -0.5659 2.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0831 -2.4933 3.6465 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5912 -1.5400 3.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4501 -3.1325 2.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6302 -2.6046 2.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0422 -3.7095 0.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2697 -3.8461 0.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2869 -3.2201 -1.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2231 -2.4680 0.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0651 -0.1269 -0.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6387 -1.3215 -1.5045 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9495 -1.1703 -2.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5043 -0.5344 -3.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6765 0.6133 -2.7077 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4545 1.4571 -0.5942 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3725 -0.1683 0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9396 1.7250 -3.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0468 3.1446 -3.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5799 2.6805 -2.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2149 1.9837 -3.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -0.0093 -0.6838 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6698 -1.1152 -1.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8869 0.2628 -3.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4099 -0.7973 -3.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9155 2.1422 -1.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3975 2.6836 0.7528 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7922 0.5107 1.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4921 -0.9881 0.7703 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3474 0.0624 2.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8554 1.5544 -1.2605 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3966 -0.2066 -0.7264 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4967 -1.5286 1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5767 -0.4954 2.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7613 -1.4623 0.8981 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9128 2.0421 -0.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4982 1.8525 2.5548 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1926 0.2498 1.8997 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1775 3.0124 1.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5445 2.5946 0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5203 2.0291 2.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4146 -0.3991 -0.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0962 1.2207 -0.8705 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8803 0.8226 0.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2791 -0.9802 -1.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7677 -1.3451 -0.7184 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5866 0.3113 -1.4957 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8078 -0.9607 2.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4119 -1.4688 1.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6479 -2.4449 0.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1364 -2.6044 -0.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0877 -3.3255 1.2134 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 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 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 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 38 39 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 2 44 1 0 0 0 0 6 45 1 0 0 0 0 6 46 1 0 0 0 0 6 47 1 0 0 0 0 7 48 1 0 0 0 0 8 49 1 1 0 0 0 9 50 1 0 0 0 0 9 51 1 0 0 0 0 9 52 1 0 0 0 0 10 53 1 1 0 0 0 11 54 1 0 0 0 0 13 55 1 0 0 0 0 13 56 1 0 0 0 0 13 57 1 0 0 0 0 14 58 1 0 0 0 0 15 59 1 6 0 0 0 16 60 1 0 0 0 0 16 61 1 0 0 0 0 16 62 1 0 0 0 0 17 63 1 1 0 0 0 18 64 1 0 0 0 0 20 65 1 0 0 0 0 20 66 1 0 0 0 0 20 67 1 0 0 0 0 21 68 1 0 0 0 0 22 69 1 1 0 0 0 23 70 1 0 0 0 0 23 71 1 0 0 0 0 23 72 1 0 0 0 0 24 73 1 6 0 0 0 25 74 1 0 0 0 0 27 75 1 0 0 0 0 27 76 1 0 0 0 0 27 77 1 0 0 0 0 28 78 1 0 0 0 0 29 79 1 6 0 0 0 30 80 1 0 0 0 0 30 81 1 0 0 0 0 30 82 1 0 0 0 0 31 83 1 6 0 0 0 32 84 1 0 0 0 0 33 85 1 1 0 0 0 34 86 1 0 0 0 0 34 87 1 0 0 0 0 34 88 1 0 0 0 0 35 89 1 0 0 0 0 35 90 1 0 0 0 0 36 91 1 1 0 0 0 37 92 1 0 0 0 0 37 93 1 0 0 0 0 37 94 1 0 0 0 0 38 95 1 0 0 0 0 38 96 1 0 0 0 0 39 97 1 0 0 0 0 39 98 1 0 0 0 0 39 99 1 0 0 0 0 M END > NP0014499 > NP-MRD > [H]O[C@]([H])(C(=C(/[H])[C@]([H])(C([H])([H])[H])[C@]([H])(O[H])C(=C(\[H])[C@]([H])(C([H])([H])[H])[C@]([H])(O[H])C(=C(/[H])[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])[H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])[C@]([H])(C(\[H])=C(/C(=O)C([H])([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] > InChI=1S/C34H60O5/c1-13-20(3)15-22(5)31(36)24(7)17-26(9)33(38)28(11)19-29(12)34(39)27(10)18-25(8)32(37)23(6)16-21(4)30(35)14-2/h16-20,22-24,27-28,31-34,36-39H,13-15H2,1-12H3/b21-16-,25-18+,26-17+,29-19-/t20-,22-,23-,24+,27-,28-,31+,32-,33+,34-/m0/s1 > QDUZZGYQNVQPPB-NIBRYMIHSA-N > C34H60O5 > 548.849 > 548.444075032 > 5 > 99 > 67.18943763253617 > 0 > 4 > 0 > 0 > (4Z,6S,7S,8E,10S,11S,12Z,14S,15S,16E,18R,19R,20S,22S)-7,11,15,19-tetrahydroxy-4,6,8,10,12,14,16,18,20,22-decamethyltetracosa-4,8,12,16-tetraen-3-one > 5.22 > 7.0245804613333345 > -5.10 > 0 > 0 > 0 > 18.77283680267486 > 18.772830017256563 > -0.42380719171969117 > 97.99000000000001 > 167.6364000000001 > 17 > 0 > 4.39e-03 g/l > (4Z,6S,7S,8E,10S,11S,12Z,14S,15S,16E,18R,19R,20S,22S)-7,11,15,19-tetrahydroxy-4,6,8,10,12,14,16,18,20,22-decamethyltetracosa-4,8,12,16-tetraen-3-one > 0 > NP0014499 > Pestalpolyol D $$$$