Mrv1652306212100533D 68 74 0 0 0 0 999 V2000 -1.8204 -3.0461 -3.1083 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4502 -1.7768 -3.7045 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6772 -2.2518 -4.3147 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6509 -1.3093 -4.1874 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7487 -1.3847 -4.7192 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1365 -0.1158 -3.4129 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8579 0.9170 -4.3401 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9025 -0.6995 -2.6810 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4701 -1.3295 -1.5078 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8079 0.3416 -2.2153 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5024 1.6290 -1.6844 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7912 -0.2207 -1.1763 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3877 0.7428 -1.2996 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4348 1.1537 -2.6769 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7747 0.7236 -3.3376 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2106 1.8199 -4.1107 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3797 -0.4265 -4.2729 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5842 -1.1626 -4.8322 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1110 -2.1819 -5.7209 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7345 0.1005 -0.8717 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2868 -0.6004 -1.9918 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5701 -0.8546 0.3493 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5689 -2.3568 -0.0376 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6537 -0.5951 1.4764 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9971 -1.2322 1.2796 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9231 -0.9551 0.2294 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0199 -1.7545 0.4436 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8463 -2.5012 1.5608 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6275 -2.1814 2.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9207 -0.9992 2.7905 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4908 -0.6135 2.5446 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3473 0.6627 1.9266 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2566 -0.5091 1.0717 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0735 -0.5655 0.3167 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1620 0.2503 1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5446 -1.9256 0.3159 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7113 -3.8229 -3.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8355 -2.8777 -2.6736 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4667 -3.4955 -2.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9066 0.2129 -2.7062 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7075 1.1673 -4.7511 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7721 -1.8062 -1.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3345 1.3992 -1.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9359 2.2318 -2.4878 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8139 2.2930 -1.1549 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4544 -1.1579 -1.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2217 1.6416 -0.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4929 2.0223 -4.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2916 -1.1354 -3.7742 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2212 -0.0412 -5.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1702 -0.4857 -5.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8986 -2.6504 -6.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4360 0.9125 -0.6495 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1897 0.0051 -2.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5226 -2.6693 -0.4745 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3780 -2.9947 0.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7975 -2.6004 -0.7709 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8331 0.4897 1.5399 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8002 -0.2649 -0.5939 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9548 -1.9011 -0.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3577 -2.7070 2.9683 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3365 -0.4721 3.6554 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9753 -2.0760 2.9827 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -0.9796 3.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2497 -0.0465 2.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9555 1.3240 1.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1529 0.0581 0.6038 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6516 -2.1953 1.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 28 27 1 0 0 0 0 27 26 2 0 0 0 0 26 25 1 0 0 0 0 24 25 1 0 0 0 0 18 2 1 0 0 0 0 18 19 1 0 0 0 0 12 10 1 0 0 0 0 10 11 1 1 0 0 0 22 33 1 0 0 0 0 34 35 1 0 0 0 0 34 33 1 0 0 0 0 12 46 1 6 0 0 0 22 20 1 0 0 0 0 22 23 1 6 0 0 0 10 15 1 0 0 0 0 31 32 1 0 0 0 0 33 32 1 1 0 0 0 20 21 1 0 0 0 0 13 12 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 33 31 1 0 0 0 0 34 36 1 6 0 0 0 8 2 1 0 0 0 0 31 30 1 0 0 0 0 30 24 1 0 0 0 0 24 22 1 0 0 0 0 25 29 2 0 0 0 0 13 20 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 6 1 0 0 0 0 6 8 1 0 0 0 0 12 34 1 0 0 0 0 6 7 1 0 0 0 0 10 8 1 0 0 0 0 4 5 2 0 0 0 0 15 17 1 0 0 0 0 2 1 1 1 0 0 0 17 18 1 0 0 0 0 8 9 1 1 0 0 0 29 28 1 0 0 0 0 15 16 1 6 0 0 0 13 47 1 1 0 0 0 20 53 1 1 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 51 1 6 0 0 0 31 64 1 1 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 24 58 1 1 0 0 0 29 61 1 0 0 0 0 27 60 1 0 0 0 0 26 59 1 0 0 0 0 19 52 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 21 54 1 0 0 0 0 36 68 1 0 0 0 0 6 40 1 1 0 0 0 7 41 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 9 42 1 0 0 0 0 16 48 1 0 0 0 0 M END > NP0040835 > NP-MRD > [H]O[C@@]1([H])C(=O)O[C@@]2(C([H])([H])[H])[C@]([H])(O[H])C([H])([H])[C@]3(O[H])O[C@@]4([H])[C@]([H])([C@]3(C([H])([H])[H])[C@@]12O[H])[C@](O[H])(C([H])([H])[H])[C@@]12O[C@]1([H])C([H])([H])[C@@]([H])(C1=C([H])OC([H])=C1[H])[C@]2(C([H])([H])[H])[C@@]4([H])O[H] > InChI=1S/C25H32O11/c1-19-11(10-5-6-33-9-10)7-13-25(19,34-13)21(3,30)15-14(16(19)27)35-23(31)8-12(26)22(4)24(32,20(15,23)2)17(28)18(29)36-22/h5-6,9,11-17,26-28,30-32H,7-8H2,1-4H3/t11-,12+,13+,14-,15+,16-,17-,19+,20-,21+,22-,23-,24-,25+/m0/s1 > FWYQZXNUTBXPDC-WFOXEMCDSA-N > C25H32O11 > 508.52 > 508.19446185 > 9 > 68 > 49.443262721400174 > 0 > 6 > 0 > 0 > (1S,2R,3R,4R,7S,8R,10S,12S,13R,14R,15R,17R,19S,20R)-15-(furan-3-yl)-3,4,8,10,13,20-hexahydroxy-2,7,14,20-tetramethyl-6,11,18-trioxahexacyclo[10.8.0.0^{2,10}.0^{3,7}.0^{14,19}.0^{17,19}]icosan-5-one > 0.06 > -1.414194581666667 > -1.69 > 0 > 7 > 0 > 11.713971145898023 > 11.103521315064473 > -2.790072977670312 > 182.57999999999998 > 115.80039999999998 > 1 > 0 > 1.04e+01 g/l > (1S,2R,3R,4R,7S,8R,10S,12S,13R,14R,15R,17R,19S,20R)-15-(furan-3-yl)-3,4,8,10,13,20-hexahydroxy-2,7,14,20-tetramethyl-6,11,18-trioxahexacyclo[10.8.0.0^{2,10}.0^{3,7}.0^{14,19}.0^{17,19}]icosan-5-one > 0 > NP0040835 > toonacilianin L $$$$