101035588 CDK 0908232200 80 88 0 0 0 0 0 0 0 0999 V2000 5.6653 -2.6995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1299 5.0178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6707 -0.7001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2363 -2.6995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8445 6.2553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6653 -4.3495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2363 -5.1745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -4.3495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7010 7.4928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 -5.5870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1299 8.3178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0929 -3.1120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -1.8746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0942 -5.1745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0942 -6.8245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6653 -7.6495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8087 -6.4120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 -6.4120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2363 -7.6495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5232 -4.3495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9521 -5.1745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9521 -6.8245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8087 -8.0620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4086 1.1781 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6958 0.7628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6859 -0.0964 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4055 2.0031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4284 -0.5290 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1610 0.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6894 2.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4387 -1.4240 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1709 -0.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6728 3.2720 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4120 3.7102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1546 2.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9797 1.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9022 -0.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1579 3.2834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2205 1.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6653 -1.8746 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9765 1.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9730 0.3188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8918 -1.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2185 1.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8859 3.6984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4155 4.6053 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8686 4.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6386 5.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2637 -1.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8568 -2.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1217 4.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4452 5.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0437 4.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 -3.1120 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1299 5.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 -3.9370 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4155 6.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2363 -4.3495 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5219 -3.1120 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5219 -3.9370 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4155 7.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8445 7.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6653 -5.1745 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1299 7.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -2.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 -5.5870 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5589 7.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 -6.4120 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9508 -6.4120 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6653 -6.8245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8087 -5.5870 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2363 -6.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5232 -5.1745 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2376 -5.5870 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5232 -6.8245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2376 -6.4120 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5232 -7.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3017 0.4099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0384 -0.8749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0739 2.9074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 40 1 1 1 0 0 0 54 1 1 1 0 0 0 46 2 1 1 0 0 0 2 55 1 0 0 0 0 3 49 1 0 0 0 0 4 54 1 0 0 0 0 4 59 1 0 0 0 0 5 55 1 0 0 0 0 5 62 1 0 0 0 0 56 6 1 6 0 0 0 63 6 1 1 0 0 0 58 7 1 1 0 0 0 60 8 1 6 0 0 0 9 61 2 0 0 0 0 10 63 1 0 0 0 0 10 69 1 0 0 0 0 11 64 1 0 0 0 0 12 65 1 0 0 0 0 13 65 2 0 0 0 0 66 14 1 6 0 0 0 71 14 1 1 0 0 0 68 15 1 1 0 0 0 70 16 1 6 0 0 0 17 71 1 0 0 0 0 17 75 1 0 0 0 0 18 72 1 0 0 0 0 19 72 2 0 0 0 0 73 20 1 6 0 0 0 74 21 1 1 0 0 0 76 22 1 6 0 0 0 23 77 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 24 29 1 0 0 0 0 24 39 1 1 0 0 0 25 26 1 0 0 0 0 25 36 1 0 0 0 0 25 78 1 6 0 0 0 26 28 1 0 0 0 0 26 37 1 0 0 0 0 26 42 1 1 0 0 0 27 30 1 0 0 0 0 27 35 1 0 0 0 0 27 44 1 6 0 0 0 28 31 1 0 0 0 0 28 32 1 0 0 0 0 28 79 1 6 0 0 0 29 32 1 0 0 0 0 30 33 1 0 0 0 0 30 41 2 0 0 0 0 31 40 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 6 0 0 0 33 34 1 0 0 0 0 33 45 1 0 0 0 0 33 80 1 1 0 0 0 34 38 1 0 0 0 0 34 46 1 0 0 0 0 34 51 1 1 0 0 0 35 38 1 0 0 0 0 36 41 1 0 0 0 0 37 43 1 0 0 0 0 40 43 1 0 0 0 0 45 47 1 0 0 0 0 46 48 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 47 53 1 0 0 0 0 54 56 1 0 0 0 0 55 57 1 0 0 0 0 56 58 1 0 0 0 0 57 61 1 0 0 0 0 58 60 1 0 0 0 0 59 60 1 0 0 0 0 59 65 1 1 0 0 0 61 64 1 0 0 0 0 62 64 2 0 0 0 0 62 67 1 0 0 0 0 63 66 1 0 0 0 0 66 68 1 0 0 0 0 68 70 1 0 0 0 0 69 70 1 0 0 0 0 69 72 1 1 0 0 0 71 73 1 0 0 0 0 73 74 1 0 0 0 0 74 76 1 0 0 0 0 75 76 1 0 0 0 0 75 77 1 1 0 0 0 M END > CHEBI:197039 > AzII > 2 > (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4-(hydroxymethyl)-9-[(5-hydroxy-6-methyl-4-oxo-2,3-dihydropyran-2-yl)oxy]-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2R,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid > C54H82O23 > 1099.227 > 1098.52469 > 0 > O([C@@H]1[C@@]([C@]2([C@@]([C@@]3([C@]([C@]4(C([C@]5([C@@](CC4)([C@H](OC6OC(=C(O)C(=O)C6)C)CC(C5)(C)C)C)[H])=CC3)C)(CC2)C)[H])(CC1)C)[H])(CO)C)[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O[C@@H]9O[C@@H]([C@@H](O)[C@H](O)[C@H]9O)CO)C(O)=O)C(O)=O > InChI=1S/C54H82O23/c1-22-32(58)25(57)17-31(70-22)72-30-19-49(2,3)18-24-23-9-10-28-51(5)13-12-29(52(6,21-56)27(51)11-14-54(28,8)53(23,7)16-15-50(24,30)4)73-47-42(37(63)35(61)40(74-47)44(66)67)77-48-43(38(64)36(62)41(75-48)45(68)69)76-46-39(65)34(60)33(59)26(20-55)71-46/h9,24,26-31,33-43,46-48,55-56,58-65H,10-21H2,1-8H3,(H,66,67)(H,68,69)/t24-,26+,27+,28+,29-,30+,31?,33+,34-,35-,36-,37-,38-,39+,40-,41-,42+,43+,46-,47+,48-,50+,51-,52+,53+,54+/m0/s1 > XIOUCIKZATWNIJ-IGBVZATOSA-N $$$$