CDK 1018121544 104114 0 0 0 0 0 0 0 0999 V2000 8.3671 -7.9160 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9299 -8.7610 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7854 -9.1557 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9299 -7.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2224 -9.1557 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0777 -10.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0749 -8.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2194 -7.9160 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6593 -7.5042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9314 -6.6552 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9378 -9.9833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7854 -9.9833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5149 -8.7438 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3642 -5.8314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9314 -5.8314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2305 -10.3953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2208 -5.8314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5087 -5.4369 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3728 -9.9833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6393 -5.4155 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4943 -8.3106 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5029 -9.9833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8010 -5.8314 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.6536 -5.8314 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2194 -7.0709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9378 -9.1557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3671 -8.7438 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4599 -5.6124 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6393 -7.0709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7826 -7.9160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9146 -6.2645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6409 -10.3953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0720 -5.4369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9457 -5.4369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5029 -9.1557 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6593 -9.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9314 -8.3106 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2224 -7.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0777 -8.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2305 -8.7438 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3642 -6.6765 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6536 -6.6765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4943 -9.1557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3728 -9.1557 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8010 -6.6765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2224 -9.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5149 -7.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0749 -7.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5149 -10.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2208 -6.6765 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9314 -9.1557 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6593 -6.6765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4599 -6.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0749 -9.1557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5087 -7.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2194 -9.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3671 -6.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7308 -11.1457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -11.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0749 -6.6765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9299 -9.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7854 -8.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2224 -8.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6474 -6.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2305 -7.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0720 -7.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7016 -5.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0322 -5.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5149 -9.5501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6379 -8.3276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7854 -10.7897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9320 -10.8050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2126 -6.2419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3591 -5.0064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2127 -5.0064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3597 -6.2720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2305 -11.2230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2194 -5.4155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5087 -4.6089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6393 -4.5916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2107 -10.4168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6609 -5.9471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7558 -4.8448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2107 -8.7438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6393 -7.9160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7617 -9.4728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6409 -8.7438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9457 -7.0881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6564 -9.5501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9168 -7.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9328 -10.0208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9514 -9.1974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6698 -8.8014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3763 -9.2256 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3600 -10.0499 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6372 -10.4504 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6199 -11.2737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0967 -8.8269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6850 -7.9780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4057 -7.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0654 -10.4748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9390 -10.8435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9095 -11.2205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1626 -11.3336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13 69 1 6 0 0 0 47 13 1 0 0 0 0 14 41 1 0 0 0 0 14 33 1 0 0 0 0 14 20 1 0 0 0 0 20 15 1 0 0 0 0 15 78 1 6 0 0 0 22 16 1 0 0 0 0 16 77 1 6 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 50 17 1 0 0 0 0 18 23 1 0 0 0 0 18 79 1 6 0 0 0 19 32 1 1 0 0 0 19 44 1 0 0 0 0 20 80 1 6 0 0 0 21 30 1 1 0 0 0 43 21 1 0 0 0 0 22 81 1 1 0 0 0 35 22 1 0 0 0 0 23 33 1 1 0 0 0 45 23 1 0 0 0 0 24 34 1 1 0 0 0 28 24 1 0 0 0 0 42 24 1 0 0 0 0 40 26 1 0 0 0 0 36 27 1 0 0 0 0 27 86 1 6 0 0 0 31 28 1 0 0 0 0 28 83 1 6 0 0 0 41 29 1 0 0 0 0 31 82 1 6 0 0 0 64 31 1 0 0 0 0 53 31 1 0 0 0 0 35 40 1 0 0 0 0 35 84 1 6 0 0 0 37 85 1 1 0 0 0 51 37 1 0 0 0 0 47 38 1 0 0 0 0 44 39 1 0 0 0 0 40 65 1 1 0 0 0 41 66 1 6 0 0 0 53 42 1 0 0 0 0 56 43 1 0 0 0 0 44 87 1 1 0 0 0 55 45 1 0 0 0 0 49 46 1 0 0 0 0 60 48 1 0 0 0 0 50 55 1 0 0 0 0 50 88 1 6 0 0 0 51 56 1 0 0 0 0 51 89 1 1 0 0 0 52 57 1 0 0 0 0 57 60 1 0 0 0 0 67 57 1 0 0 0 0 68 57 1 0 0 0 0 90 65 1 0 0 0 0 1 7 1 1 0 0 0 9 1 1 0 0 0 0 11 72 1 6 0 0 0 27 1 1 0 0 0 0 10 73 1 6 0 0 0 48 1 1 0 0 0 0 14 74 1 6 0 0 0 2 36 1 0 0 0 0 17 75 1 6 0 0 0 5 2 1 0 0 0 0 64 76 1 0 0 0 0 2 61 1 6 0 0 0 2 4 1 0 0 0 0 3 13 1 0 0 0 0 39 3 1 0 0 0 0 3 62 1 1 0 0 0 12 3 1 0 0 0 0 4 9 1 0 0 0 0 38 4 2 0 0 0 0 13 5 1 0 0 0 0 46 5 1 0 0 0 0 5 63 1 1 0 0 0 6 12 1 0 0 0 0 19 6 1 0 0 0 0 58 6 1 0 0 0 0 59 6 1 0 0 0 0 30 7 1 0 0 0 0 54 7 2 0 0 0 0 8 21 1 0 0 0 0 91 81 1 0 0 0 0 91 92 1 0 0 0 0 8 25 1 6 0 0 0 37 8 1 0 0 0 0 52 9 1 0 0 0 0 9 70 1 1 0 0 0 10 25 1 0 0 0 0 91 96 1 0 0 0 0 92 93 1 0 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 95 96 1 0 0 0 0 15 10 1 0 0 0 0 96 97 1 6 0 0 0 29 10 1 0 0 0 0 94 98 1 6 0 0 0 11 32 1 0 0 0 0 93 99 1 1 0 0 0 16 11 1 0 0 0 0 99100 1 0 0 0 0 26 11 1 0 0 0 0 95101 1 1 0 0 0 12 49 1 0 0 0 0 91102 1 6 0 0 0 58103 1 0 0 0 0 12 71 1 6 0 0 0 59104 1 0 0 0 0 M END > CHEBI:70439 > platycodin D2 > A natural product found in Platycodon grandiflorum. > 2 > C63H102O33 > 1387.46420 > 1386.63034 > 0 > [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1[C@H](O)[C@@H](CO)O[C@@]([H])(O[C@H]2[C@@H](O)C[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])CC=C3[C@]5([H])CC(C)(C)CC[C@@]5([C@H](O)C[C@@]43C)C(=O)O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O[C@]3([H])O[C@@H](C)[C@]([H])(O[C@@H]4OC[C@@H](O)[C@]([H])(O[C@@H]5OC[C@](O)(CO)[C@H]5O)[C@H]4O)[C@@H](O)[C@H]3O)C2(CO)CO)[C@@H]1O > InChI=1S/C63H102O33/c1-24-44(91-50-42(80)45(29(71)19-85-50)92-55-48(82)62(84,22-68)23-87-55)39(77)41(79)51(88-24)94-47-35(73)28(70)18-86-54(47)96-56(83)63-12-11-57(2,3)13-26(63)25-7-8-32-58(4)14-27(69)49(61(20-66,21-67)33(58)9-10-59(32,5)60(25,6)15-34(63)72)95-53-43(81)46(37(75)31(17-65)90-53)93-52-40(78)38(76)36(74)30(16-64)89-52/h7,24,26-55,64-82,84H,8-23H2,1-6H3/t24-,26-,27-,28-,29+,30+,31+,32+,33+,34+,35-,36+,37+,38-,39-,40+,41+,42+,43+,44-,45-,46-,47+,48-,49-,50-,51-,52-,53-,54-,55-,58+,59+,60+,62+,63+/m0/s1 > PXQNZQURQNZGKZ-MXNHKPIDSA-N > 20939516 $$$$