Mrv1652306192123273D 75 79 0 0 0 0 999 V2000 7.1645 1.6254 -3.2903 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4128 1.4000 -2.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4914 2.2015 -1.0754 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5844 0.1747 -1.8693 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5458 -0.8511 -2.7415 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6114 -1.9339 -2.2750 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7548 -1.1257 -1.3040 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8725 -1.8467 -0.2841 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9567 -2.8626 -0.9787 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8352 -3.3362 -0.1126 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4599 -2.7612 1.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6891 -3.3582 1.8401 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7531 -2.3171 2.2092 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4028 -1.9095 0.9986 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6584 -1.2509 1.1900 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6034 -2.1249 1.8054 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8777 -1.4949 1.9975 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.8019 -2.4538 2.7606 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.0087 -1.8188 3.1691 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4883 -1.1015 0.6414 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.7463 -0.4384 0.8102 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5204 -0.1843 -0.1074 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.0508 0.0870 -1.4137 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1453 -0.8373 -0.2126 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2385 0.0849 -0.8362 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0947 -1.1461 2.9335 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0162 -0.4984 2.0969 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5410 0.5854 2.8675 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1332 -1.4961 1.6166 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0111 -1.9522 2.8092 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0190 -0.7970 0.4948 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8548 0.4252 0.9753 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8529 0.9865 -0.0583 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7325 -0.1217 -0.6509 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6571 -0.7256 0.4314 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9653 0.8881 -3.3892 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6098 2.6249 -3.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4825 1.5714 -4.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1055 -0.9266 -3.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1577 -2.7524 -1.7973 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0141 -2.3274 -3.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0577 -0.5542 -1.9459 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5100 -2.3980 0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5523 -3.7295 -1.2894 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5213 -2.4333 -1.8897 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3038 -4.2136 -0.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1691 -4.1640 1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2878 -3.8145 2.7529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4823 -2.7991 2.8712 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5039 -0.3586 1.8075 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7503 -0.5961 2.6165 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0521 -3.3277 2.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2977 -2.8308 3.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3256 -1.2888 2.4059 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6774 -1.9972 0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9465 -0.0517 -0.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4509 0.7901 0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3188 0.5185 -1.9009 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1986 -1.7121 -0.8729 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3578 -0.3375 -0.7702 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8326 -0.3773 3.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6913 -1.4846 3.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4504 -0.0432 1.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8491 0.2415 3.7228 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4187 -2.4453 3.5875 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5234 -1.1188 3.2968 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7778 -2.6699 2.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3135 -0.3810 -0.2434 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4110 0.1777 1.8831 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1819 1.2463 1.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2953 1.4988 -0.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4651 1.7540 0.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2679 -1.5491 0.0436 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1078 -1.1201 1.2903 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3475 0.0349 0.8154 H 0 0 0 0 0 0 0 0 0 0 0 0 9 8 1 0 0 0 0 31 8 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 31 32 1 0 0 0 0 8 7 1 0 0 0 0 34 33 1 0 0 0 0 33 32 1 0 0 0 0 29 31 1 0 0 0 0 24 25 1 0 0 0 0 26 13 1 0 0 0 0 29 30 1 1 0 0 0 13 14 1 0 0 0 0 34 7 1 0 0 0 0 15 24 1 0 0 0 0 24 22 1 0 0 0 0 7 6 1 0 0 0 0 6 5 1 0 0 0 0 4 34 1 0 0 0 0 4 5 2 0 0 0 0 22 20 1 0 0 0 0 26 27 1 0 0 0 0 13 12 1 0 0 0 0 12 11 1 0 0 0 0 3 2 2 0 0 0 0 2 4 1 0 0 0 0 29 27 1 0 0 0 0 34 35 1 1 0 0 0 29 11 1 0 0 0 0 2 1 1 0 0 0 0 20 17 1 0 0 0 0 27 28 1 0 0 0 0 17 16 1 0 0 0 0 8 43 1 1 0 0 0 16 15 1 0 0 0 0 18 19 1 0 0 0 0 11 10 2 0 0 0 0 7 42 1 6 0 0 0 10 9 1 0 0 0 0 31 68 1 6 0 0 0 17 18 1 0 0 0 0 15 14 1 0 0 0 0 21 56 1 0 0 0 0 15 50 1 1 0 0 0 20 55 1 6 0 0 0 22 57 1 1 0 0 0 23 58 1 0 0 0 0 24 59 1 6 0 0 0 25 60 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 17 51 1 1 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 13 49 1 1 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 27 63 1 6 0 0 0 10 46 1 0 0 0 0 9 44 1 0 0 0 0 9 45 1 0 0 0 0 33 71 1 0 0 0 0 33 72 1 0 0 0 0 32 69 1 0 0 0 0 32 70 1 0 0 0 0 30 65 1 0 0 0 0 30 66 1 0 0 0 0 30 67 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 5 39 1 0 0 0 0 35 73 1 0 0 0 0 35 74 1 0 0 0 0 35 75 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 28 64 1 0 0 0 0 19 54 1 0 0 0 0 M END > NP0029985 > NP-MRD > [H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@]2([H])C([H])([H])C3=C([H])C([H])([H])[C@@]4([H])[C@]5([H])C([H])([H])C([H])=C(C(=O)C([H])([H])[H])[C@@]5(C([H])([H])[H])C([H])([H])C([H])([H])[C@]4([H])[C@@]3(C([H])([H])[H])[C@]([H])(O[H])C2([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H] > InChI=1S/C27H40O8/c1-13(29)17-6-7-18-16-5-4-14-10-15(34-25-24(33)23(32)22(31)20(12-28)35-25)11-21(30)27(14,3)19(16)8-9-26(17,18)2/h4,6,15-16,18-25,28,30-33H,5,7-12H2,1-3H3/t15-,16-,18-,19-,20+,21+,22+,23-,24+,25+,26+,27-/m0/s1 > GITMCXDSAKMGOI-BLIRSTDCSA-N > C27H40O8 > 492.609 > 492.272318248 > 8 > 75 > 54.11846824579668 > 1 > 5 > 0 > 0 > 1-[(1S,2R,3R,5S,10S,11S,15S)-3-hydroxy-2,15-dimethyl-5-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-7,13-dien-14-yl]ethan-1-one > 1.44 > 0.3573054346666654 > -3.05 > 0 > 5 > 0 > 13.183299676827918 > 12.208601278354509 > -2.9810835428924864 > 136.68 > 128.51780000000002 > 4 > 1 > 4.37e-01 g/l > 1-[(1S,2R,3R,5S,10S,11S,15S)-3-hydroxy-2,15-dimethyl-5-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-7,13-dien-14-yl]ethanone > 0 > NP0029985 > tupichinin A $$$$