6326144 CDK 1222231038 92 99 0 0 0 0 0 0 0 0999 V2000 9.9521 1.9957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5232 1.9957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5232 -0.4793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9521 0.3457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1271 2.8207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1804 -0.9680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0943 0.3457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0270 -3.2937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9917 3.8603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9521 -1.0832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5396 4.9153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0876 -2.0297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4020 -3.0072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5017 2.8748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6841 -3.7825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0943 2.8207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6021 0.3457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4271 -1.0832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9160 4.6673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6021 -2.5122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3074 -1.1114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5913 -4.8442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5307 -6.1082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9058 -5.8217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3646 -3.2267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 1.5832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5502 5.2193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8111 -4.9031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3074 -2.0887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0370 1.5499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 2.8207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0929 -0.8918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6266 3.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5232 0.3457 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2377 0.7582 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2377 1.5832 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8087 0.7582 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9521 2.8207 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8087 1.5832 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2071 3.6053 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5396 4.0903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9929 -1.1113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8722 3.6053 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7448 -2.5185 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2751 -1.8865 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9323 -2.3753 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6501 -1.5999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3646 -0.3688 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7368 2.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0943 1.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1896 -0.3688 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6021 -1.0832 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0876 3.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1896 -1.7977 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3646 -1.7977 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4967 -3.9258 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8376 -1.7432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7788 -4.7010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2485 -5.3330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4361 -5.1897 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1538 -4.4145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9521 -2.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 0.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1632 4.6673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3414 -4.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5895 -2.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1518 2.3669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 3.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 0.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8133 5.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0592 -3.4959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 4.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9168 2.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6985 5.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5783 4.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 0.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3486 6.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2284 5.3741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5669 2.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 0.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1135 6.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3317 2.4771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 -0.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 0.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 -0.8918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 0.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9819 1.9692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4466 3.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -0.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7468 2.2782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2115 3.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8616 3.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36 1 1 6 0 0 0 38 1 1 6 0 0 0 2 36 1 0 0 0 0 2 39 1 0 0 0 0 34 3 1 1 0 0 0 42 3 1 6 0 0 0 35 4 1 6 0 0 0 48 4 1 1 0 0 0 5 38 1 0 0 0 0 5 43 1 0 0 0 0 6 42 1 0 0 0 0 6 47 1 0 0 0 0 37 7 1 6 0 0 0 7 63 1 0 0 0 0 44 8 1 1 0 0 0 56 8 1 6 0 0 0 40 9 1 6 0 0 0 9 64 1 0 0 0 0 10 48 1 0 0 0 0 10 55 1 0 0 0 0 41 11 1 1 0 0 0 45 12 1 6 0 0 0 46 13 1 6 0 0 0 13 66 1 0 0 0 0 14 49 1 0 0 0 0 14 67 1 0 0 0 0 15 56 1 0 0 0 0 15 61 1 0 0 0 0 16 50 1 0 0 0 0 16 68 1 0 0 0 0 51 17 1 6 0 0 0 52 18 1 1 0 0 0 19 53 1 0 0 0 0 54 20 1 6 0 0 0 21 57 1 0 0 0 0 58 22 1 6 0 0 0 59 23 1 1 0 0 0 60 24 1 6 0 0 0 25 62 1 0 0 0 0 26 63 2 0 0 0 0 27 64 2 0 0 0 0 28 65 1 0 0 0 0 29 66 2 0 0 0 0 30 67 2 0 0 0 0 31 68 2 0 0 0 0 32 89 1 0 0 0 0 33 92 1 0 0 0 0 34 35 1 0 0 0 0 34 37 1 0 0 0 0 35 36 1 0 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 38 49 1 0 0 0 0 39 50 1 1 0 0 0 40 41 1 0 0 0 0 41 43 1 0 0 0 0 42 45 1 0 0 0 0 43 53 1 6 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 46 47 1 0 0 0 0 47 57 1 1 0 0 0 48 51 1 0 0 0 0 51 52 1 0 0 0 0 52 54 1 0 0 0 0 54 55 1 0 0 0 0 55 62 1 1 0 0 0 56 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 65 1 1 0 0 0 63 69 1 0 0 0 0 64 70 1 0 0 0 0 66 71 1 0 0 0 0 67 73 1 0 0 0 0 68 72 1 0 0 0 0 69 76 2 0 0 0 0 70 74 2 0 0 0 0 70 75 1 0 0 0 0 73 79 2 0 0 0 0 74 77 1 0 0 0 0 75 78 2 0 0 0 0 76 80 1 0 0 0 0 77 81 2 0 0 0 0 78 81 1 0 0 0 0 79 82 1 0 0 0 0 80 83 2 0 0 0 0 80 84 1 0 0 0 0 82 87 2 0 0 0 0 82 88 1 0 0 0 0 83 85 1 0 0 0 0 84 86 2 0 0 0 0 85 89 2 0 0 0 0 86 89 1 0 0 0 0 87 90 1 0 0 0 0 88 91 2 0 0 0 0 90 92 2 0 0 0 0 91 92 1 0 0 0 0 M END > CHEBI:228318 > Tenuifoliose I > 2 > [(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-4-[(2R,3R,4R,5R,6R)-5-acetyloxy-3-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(acetyloxymethyl)-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxolan-3-yl] benzoate > C59H72O33 > 1309.192 > 1308.39558 > 0 > O([C@H]1O[C@@H]([C@@H](OC(=O)/C=C/C2=CC=C(O)C=C2)[C@H](O[C@H]3O[C@@H]([C@@H](OC(=O)C)[C@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)[C@H]3O)CO)[C@H]1O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)COC(=O)C)[C@@]6(O[C@@H]([C@@H](O)[C@@H]6OC(=O)C7=CC=CC=C7)CO)COC(=O)/C=C/C8=CC=C(O)C=C8 > InChI=1S/C59H72O33/c1-26(64)79-24-37-49(86-39(69)19-13-29-10-16-32(67)17-11-29)51(88-57-47(77)50(48(81-27(2)65)36(23-63)84-57)87-55-45(75)43(73)40(70)33(20-60)82-55)52(89-56-46(76)44(74)41(71)34(21-61)83-56)58(85-37)92-59(25-80-38(68)18-12-28-8-14-31(66)15-9-28)53(42(72)35(22-62)91-59)90-54(78)30-6-4-3-5-7-30/h3-19,33-37,40-53,55-58,60-63,66-67,70-77H,20-25H2,1-2H3/b18-12+,19-13+/t33-,34-,35-,36-,37-,40-,41-,42-,43+,44+,45-,46-,47-,48-,49-,50-,51+,52-,53+,55-,56+,57-,58-,59+/m1/s1 > WMPYSYJGLDWELZ-BMZTZIJHSA-N $$$$