68962874 -OEChem-05062419132D 106110 0 1 0 0 0 0 0999 V2000 9.4639 -2.8296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2589 0.7227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1469 3.2823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6370 4.1309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6036 -1.3263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7280 -3.8230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8716 -1.3196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9960 -3.8163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1396 -1.3130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2639 -3.8096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -2.8030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9909 -1.2773 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2149 -1.2842 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1249 -0.7773 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8570 -0.7773 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2069 -2.3258 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.0070 -2.3188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2715 -2.8755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1090 -2.8466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8570 0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7509 0.7573 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.6570 0.2435 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7509 -1.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2881 -0.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6570 -0.7981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1249 0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6337 -2.0434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3318 -2.3330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3402 -1.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2226 -0.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1991 -1.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9909 0.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7258 1.8420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6008 0.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6570 2.3990 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7748 -3.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7748 -3.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6008 1.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5268 -0.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1470 3.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1469 3.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5998 -2.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7318 -2.8230 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8678 -2.3196 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9998 -2.8163 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1357 -2.3130 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2678 -2.8096 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4037 -2.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8610 -0.3523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2093 -2.9458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2250 -2.8992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6162 -2.2033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7117 -3.3226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5099 -3.3195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4804 1.1936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3463 -1.7818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1445 -1.7910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6963 -0.2534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8982 -0.2380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8660 -1.3818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2678 -0.6920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1588 -2.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0323 -2.5183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1087 -1.6448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3306 -2.9530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1356 -0.6627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7285 -1.3494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8426 -0.2890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2274 0.3358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6026 -0.2794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6165 -1.9291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4112 -2.2996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7817 -1.5049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9909 1.3427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5033 2.4207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1176 1.7218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8098 0.1950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2116 0.8848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2367 -3.4355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4669 -4.2816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3129 -4.0514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2391 -4.0517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0869 -4.2753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3105 -3.4275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2116 1.7576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8098 2.4474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2210 -0.7891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0661 -0.5557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8327 0.2895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6803 3.5753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8308 3.7925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6137 2.9430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4506 3.8228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1937 -3.1309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3320 -2.0076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1899 -4.1309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4617 -3.1242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3359 -1.0076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6738 -2.0050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4578 -4.1242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7296 -3.1176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6038 -1.0009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8040 -1.8329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0070 -1.8298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7258 -4.1175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28 1 1 1 0 0 0 1 42 1 0 0 0 0 2 26 2 0 0 0 0 3 41 1 0 0 0 0 3 93 1 0 0 0 0 4 41 2 0 0 0 0 5 42 2 0 0 0 0 43 6 1 1 0 0 0 6 96 1 0 0 0 0 44 7 1 6 0 0 0 7 98 1 0 0 0 0 45 8 1 6 0 0 0 8100 1 0 0 0 0 46 9 1 1 0 0 0 9102 1 0 0 0 0 47 10 1 1 0 0 0 10105 1 0 0 0 0 11 48 1 0 0 0 0 11106 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 17 1 0 0 0 0 12 27 1 1 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 24 1 0 0 0 0 13 30 1 1 0 0 0 14 26 1 0 0 0 0 14 49 1 6 0 0 0 15 20 1 0 0 0 0 15 23 1 0 0 0 0 15 31 1 6 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 16 50 1 0 0 0 0 17 19 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 28 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 21 1 0 0 0 0 20 32 2 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 21 55 1 6 0 0 0 22 25 1 0 0 0 0 22 34 1 0 0 0 0 22 39 1 1 0 0 0 23 25 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 29 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 32 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 28 29 1 0 0 0 0 28 65 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 30 68 1 0 0 0 0 30 69 1 0 0 0 0 30 70 1 0 0 0 0 31 71 1 0 0 0 0 31 72 1 0 0 0 0 31 73 1 0 0 0 0 32 74 1 0 0 0 0 33 35 1 0 0 0 0 33 75 1 0 0 0 0 33 76 1 0 0 0 0 34 38 1 0 0 0 0 34 77 1 0 0 0 0 34 78 1 0 0 0 0 35 38 1 0 0 0 0 35 40 1 6 0 0 0 35 41 1 0 0 0 0 36 79 1 0 0 0 0 36 80 1 0 0 0 0 36 81 1 0 0 0 0 37 82 1 0 0 0 0 37 83 1 0 0 0 0 37 84 1 0 0 0 0 38 85 1 0 0 0 0 38 86 1 0 0 0 0 39 87 1 0 0 0 0 39 88 1 0 0 0 0 39 89 1 0 0 0 0 40 90 1 0 0 0 0 40 91 1 0 0 0 0 40 92 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 43 94 1 0 0 0 0 44 45 1 0 0 0 0 44 95 1 0 0 0 0 45 46 1 0 0 0 0 45 97 1 0 0 0 0 46 47 1 0 0 0 0 46 99 1 0 0 0 0 47 48 1 0 0 0 0 47101 1 0 0 0 0 48103 1 0 0 0 0 48104 1 0 0 0 0 M END > 68962874 > 1 > 1340 > 11 > 7 > 9 > AAADcfB8PAAAAAAAAAAAAAAAAAAAAAAAAAAwYMGCAAAAAADAAAAAGgAACAAADxSggAICCAAABgCIAqDSCAIAAAAgAAAACAFAAEgBEBYAAQACQAAFoAALAQPK7PzPgAAAAAAAAADAAAYAADAAAAAAAAAAAA== > (2S,4aS,6aR,6aS,6bR,10S,12aS,14bS)-10-[(2S,3S,4R,5R,6S)-2,3,4,5,6,7-hexahydroxyheptanoyl]oxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid > (2S,4aS,6aR,6aS,6bR,10S,12aS,14bS)-10-[(2S,3S,4R,5R,6S)-2,3,4,5,6,7-hexahydroxy-1-oxoheptoxy]-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid > (2S,4aS,6aR,6aS,6bR,10S,12aS,14bS)-10-[(2S,3S,4R,5R,6S)-2,3,4,5,6,7-hexahydroxyheptanoyl]oxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid > (2S,4aS,6aR,6aS,6bR,10S,12aS,14bS)-10-[(2S,3S,4R,5R,6S)-2,3,4,5,6,7-hexahydroxyheptanoyl]oxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid > (2S,4aS,6aR,6aS,6bR,10S,12aS,14bS)-10-[(2S,3S,4R,5R,6S)-2,3,4,5,6,7-hexakis(oxidanyl)heptanoyl]oxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxidanylidene-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid > (2S,4aS,6aR,6aS,6bR,10S,12aS,14bS)-10-[(2S,3S,4R,5R,6S)-2,3,4,5,6,7-hexahydroxyheptanoyl]oxy-13-keto-2,4a,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid > InChI=1S/C37H58O11/c1-32(2)23-8-11-37(7)29(21(39)16-19-20-17-34(4,31(46)47)13-12-33(20,3)14-15-36(19,37)6)35(23,5)10-9-24(32)48-30(45)28(44)27(43)26(42)25(41)22(40)18-38/h16,20,22-29,38,40-44H,8-15,17-18H2,1-7H3,(H,46,47)/t20-,22+,23?,24+,25-,26-,27+,28+,29-,33-,34+,35+,36-,37-/m1/s1 > YIXXJLOCPWZWCP-XHQBDRFMSA-N > 3.2 > 678.39791266 > C37H58O11 > 678.8 > CC1(C2CCC3(C(C2(CCC1OC(=O)C(C(C(C(C(CO)O)O)O)O)O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C > C[C@]12CC[C@](C[C@@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)[C@H]([C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)O)O)C)(C)C(=O)O > 202 > 678.39791266 > 0 > 48 > 13 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 28 1 5 47 10 5 12 27 5 13 30 5 14 49 6 15 31 6 16 19 3 21 55 6 22 39 5 35 40 6 43 6 5 44 7 6 45 8 6 46 9 5 $$$$