Mrv1652305221920282D 49 56 0 0 1 0 999 V2000 -2.2457 -2.6049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8858 -1.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0232 -3.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9422 0.5324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1372 -4.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2966 -2.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6525 -3.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0865 -3.8525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2148 -0.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7296 -0.5247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5076 -2.2363 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2178 -1.5108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6997 -2.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7756 -2.6167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4335 -1.2550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5815 -1.3363 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1236 -1.9581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8225 -1.6597 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8247 -1.5443 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8956 -2.4815 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9478 -1.9220 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7706 -2.6071 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4871 -1.3627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1875 -2.0381 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2169 -2.3358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4565 -0.1345 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8484 -3.4713 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4748 -2.3652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6741 -2.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9915 -0.7099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8839 -2.8214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9506 -0.8344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9144 0.4873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4321 -2.5899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5561 -1.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6471 -3.2663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5143 -3.0612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0896 -0.6958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0066 -2.8791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6219 -1.1069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3770 -1.1176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6193 -1.8737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2374 -0.9648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3051 -3.1977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5891 -2.6649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4629 -3.0558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0279 -0.6773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2807 -1.3588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 7 1 0 0 0 0 11 1 1 6 0 0 0 12 2 1 6 0 0 0 13 3 1 0 0 0 0 14 7 1 0 0 0 0 14 11 1 0 0 0 0 15 9 1 0 0 0 0 15 12 1 0 0 0 0 16 10 1 0 0 0 0 17 13 2 0 0 0 0 17 16 1 0 0 0 0 18 16 1 0 0 0 0 19 18 1 0 0 0 0 20 13 1 0 0 0 0 20 18 1 0 0 0 0 21 15 1 0 0 0 0 21 17 1 0 0 0 0 22 19 1 0 0 0 0 23 19 1 0 0 0 0 24 14 1 0 0 0 0 25 12 1 0 0 0 0 26 11 1 0 0 0 0 27 4 1 6 0 0 0 27 9 1 0 0 0 0 27 10 1 0 0 0 0 28 5 1 6 0 0 0 28 8 1 0 0 0 0 28 22 1 0 0 0 0 29 6 1 6 0 0 0 29 23 1 0 0 0 0 30 20 1 0 0 0 0 30 22 1 0 0 0 0 30 24 1 0 0 0 0 30 29 1 0 0 0 0 23 31 1 6 0 0 0 32 25 2 0 0 0 0 33 26 2 0 0 0 0 27 34 1 1 0 0 0 35 21 1 0 0 0 0 35 25 1 0 0 0 0 36 24 1 0 0 0 0 36 26 1 0 0 0 0 37 28 1 0 0 0 0 37 29 1 0 0 0 0 11 38 1 1 0 0 0 12 39 1 1 0 0 0 14 40 1 6 0 0 0 15 41 1 6 0 0 0 16 42 1 6 0 0 0 18 43 1 1 0 0 0 19 44 1 1 0 0 0 20 45 1 1 0 0 0 21 46 1 1 0 0 0 22 47 1 6 0 0 0 23 48 1 1 0 0 0 24 49 1 1 0 0 0 M END > FDB015296 > foodb > [H][C@@]1(C)C(=O)O[C@@]2([H])[C@@]1([H])CC[C@]1(C)O[C@]3(C)[C@@]([H])(O)[C@]4([H])[C@]5([H])[C@@]6([H])C[C@@](C)(O)C[C@@]7([H])[C@]([H])(C)C(=O)O[C@]7([H])C6=C(C)[C@]5([H])C23[C@]14[H] > InChI=1S/C30H40O7/c1-11-14-7-8-28(5)22-19-18-16-10-27(4,34)9-15-12(2)25(32)35-21(15)17(16)13(3)20(18)30(22,24(14)36-26(11)33)29(6,37-28)23(19)31/h11-12,14-16,18-24,31,34H,7-10H2,1-6H3/t11-,12-,14-,15-,16-,18-,19+,20-,21-,22-,23-,24-,27-,28-,29+,30?/m0/s1 > ISHUGAFOZRITCZ-VYRXGUTMSA-N > C30H40O7 > 512.6344 > 512.277403634 > 5 > 77 > 50.91297244385962 > 1 > 2 > 0 > 0 > (2R,5S,8S,9S,11R,13R,14R,15R,16S,17S,19S,22S,23S,26S,27R)-11,16-dihydroxy-3,8,11,17,19,23-hexamethyl-6,18,25-trioxaoctacyclo[13.11.1.0^{1,17}.0^{2,14}.0^{4,13}.0^{5,9}.0^{19,27}.0^{22,26}]heptacos-3-ene-7,24-dione > 2.52 > 1.6389643880000007 > -4.06 > 0 > 8 > 0 > 15.047144968254873 > 13.722577585375557 > -2.7878931636770146 > 102.29 > 132.58859999999996 > 0 > 0 > 4.52e-02 g/l > (2R,5S,8S,9S,11R,13R,14R,15R,16S,17S,19S,22S,23S,26S,27R)-11,16-dihydroxy-3,8,11,17,19,23-hexamethyl-6,18,25-trioxaoctacyclo[13.11.1.0^{1,17}.0^{2,14}.0^{4,13}.0^{5,9}.0^{19,27}.0^{22,26}]heptacos-3-ene-7,24-dione > 0 > FDB015296 > Anabsin $$$$