Mrv1652309122213592D 32 34 0 0 1 0 999 V2000 2.4794 2.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1565 1.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7942 2.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6359 2.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4960 2.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2770 2.3107 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6921 3.0237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9163 1.7803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3529 1.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5157 0.2474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3894 -0.5863 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6382 -0.9522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5466 -1.7933 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7832 -2.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9398 -2.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0915 -2.1180 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2491 -2.1762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7097 -1.5482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0222 -0.7561 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8415 0.0893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8283 0.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0180 1.0841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8544 -0.6589 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1839 0.0975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3387 -1.3191 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1523 -1.1825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2493 -2.2571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1885 -3.0798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9986 -1.9081 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6752 -2.3802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0680 -1.0796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8181 -0.7361 0.0000 O 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 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 6 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 1 0 0 0 13 12 1 1 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 6 0 0 0 17 18 1 0 0 0 0 19 18 1 6 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 2 21 1 0 0 0 0 21 22 2 0 0 0 0 19 23 1 0 0 0 0 23 24 1 6 0 0 0 23 25 1 0 0 0 0 16 25 1 0 0 0 0 25 26 1 1 0 0 0 13 27 1 0 0 0 0 27 28 1 6 0 0 0 27 29 1 0 0 0 0 29 30 1 1 0 0 0 29 31 1 0 0 0 0 11 31 1 0 0 0 0 31 32 1 6 0 0 0 M END > NP0328479 > NP-MRD > C[C@@H]1CCO[C@@H]2O[C@H](CO[C@@H]3OC[C@H](OC(=O)\C(C)=C/CC1)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O > InChI=1S/C21H34O11/c1-10-4-3-5-11(2)19(27)31-12-8-29-20(17(25)15(12)23)30-9-13-14(22)16(24)18(26)21(32-13)28-7-6-10/h5,10,12-18,20-26H,3-4,6-9H2,1-2H3/b11-5-/t10-,12-,13+,14+,15-,16-,17+,18+,20-,21+/m0/s1 > QUOSEESBIZGJKC-UGUGIVCWSA-N > C21H34O11 > 462.492 > 462.210111915 > 10 > 66 > 46.351487410126424 > 1 > 5 > 0 > 1 > (1R,4R,5S,6S,7R,8R,12S,15E,19S,22R,23R)-5,6,7,22,23-pentahydroxy-12,16-dimethyl-2,9,18,21,24-pentaoxatricyclo[17.2.2.1^{4,8}]tetracos-15-en-17-one > -0.06978397500000029 > 0 > 3 > 0 > 12.490911832598751 > 11.941886379807153 > -3.648667943910181 > 164.37 > 107.57520000000004 > 0 > 1 > (1R,4R,5S,6S,7R,8R,12S,15E,19S,22R,23R)-5,6,7,22,23-pentahydroxy-12,16-dimethyl-2,9,18,21,24-pentaoxatricyclo[17.2.2.1^{4,8}]tetracos-15-en-17-one > 0 > NP0328479 > (1r,4r,5s,6s,7r,8r,12s,15e,19s,22r,23r)-5,6,7,22,23-pentahydroxy-12,16-dimethyl-2,9,18,21,24-pentaoxatricyclo[17.2.2.1⁴,⁸]tetracos-15-en-17-one $$$$