162883669 CDK 1222231038 95102 0 0 0 0 0 0 0 0999 V2000 9.0997 1.3985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6708 1.3985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6708 -1.0765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0997 -0.2515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2747 2.2235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1821 -2.4192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2419 -0.2515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8563 -1.5726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1392 3.2631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3852 -1.4890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6872 4.3180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6315 -0.7943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1428 -3.1976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4975 2.5206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3675 -2.9155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2419 2.2235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5286 -1.0765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5286 -2.7265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7227 4.4059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0997 -3.5515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4686 -4.0441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3059 -1.0084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0419 -2.0689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3283 -3.6939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6708 -3.5515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8129 -0.2515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6977 4.6221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2469 -4.7885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0614 -4.2923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8952 2.8177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4794 2.9380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9799 -5.3869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3040 4.1805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9243 -2.0241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6708 -0.2515 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3852 0.1610 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3852 0.9860 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9563 0.1610 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0997 2.2235 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9563 0.9860 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3547 3.0082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6872 3.4930 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0387 -1.6068 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6315 -1.8548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0198 3.0082 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2636 -1.3245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7748 -2.6673 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5501 -2.9495 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0997 -1.0765 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8843 1.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2419 1.3985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8142 -1.4890 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8142 -2.3140 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4677 3.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0997 -2.7265 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3852 -2.3140 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2243 -2.1029 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6934 -3.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4491 -1.8208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8170 -2.3511 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9603 -3.1635 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7356 -3.4458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6708 -2.7265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5273 0.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3108 4.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8788 -4.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2861 -4.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2820 2.2657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6544 2.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2452 0.9363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0954 4.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6541 -4.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6119 -4.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2419 3.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4536 1.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2669 5.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7086 3.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4327 1.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3872 -5.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0516 5.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4931 4.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2382 1.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1506 1.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6647 4.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4097 0.3968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6809 2.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3381 1.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3987 3.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0560 2.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1944 0.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7967 -0.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5863 3.4053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3659 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9682 -0.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7528 -1.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37 1 1 6 0 0 0 39 1 1 6 0 0 0 2 37 1 0 0 0 0 2 40 1 0 0 0 0 35 3 1 1 0 0 0 43 3 1 1 0 0 0 36 4 1 1 0 0 0 49 4 1 1 0 0 0 5 39 1 0 0 0 0 5 45 1 0 0 0 0 6 43 1 0 0 0 0 6 48 1 0 0 0 0 38 7 1 6 0 0 0 7 64 1 0 0 0 0 44 8 1 1 0 0 0 57 8 1 6 0 0 0 41 9 1 1 0 0 0 9 65 1 0 0 0 0 10 49 1 0 0 0 0 10 56 1 0 0 0 0 42 11 1 1 0 0 0 46 12 1 1 0 0 0 47 13 1 6 0 0 0 13 67 1 0 0 0 0 14 50 1 0 0 0 0 14 68 1 0 0 0 0 15 57 1 0 0 0 0 15 62 1 0 0 0 0 16 51 1 0 0 0 0 16 69 1 0 0 0 0 52 17 1 6 0 0 0 53 18 1 1 0 0 0 19 54 1 0 0 0 0 55 20 1 6 0 0 0 21 58 1 0 0 0 0 21 73 1 0 0 0 0 59 22 1 6 0 0 0 60 23 1 1 0 0 0 61 24 1 6 0 0 0 25 63 1 0 0 0 0 26 64 2 0 0 0 0 27 65 2 0 0 0 0 28 66 1 0 0 0 0 29 67 2 0 0 0 0 30 68 2 0 0 0 0 31 69 2 0 0 0 0 32 73 2 0 0 0 0 33 92 1 0 0 0 0 34 95 1 0 0 0 0 35 36 1 0 0 0 0 35 38 1 0 0 0 0 36 37 1 0 0 0 0 38 40 1 0 0 0 0 39 41 1 0 0 0 0 39 50 1 0 0 0 0 40 51 1 6 0 0 0 41 42 1 0 0 0 0 42 45 1 0 0 0 0 43 46 1 0 0 0 0 44 46 1 0 0 0 0 44 47 1 0 0 0 0 45 54 1 1 0 0 0 47 48 1 0 0 0 0 48 58 1 1 0 0 0 49 52 1 0 0 0 0 52 53 1 0 0 0 0 53 55 1 0 0 0 0 55 56 1 0 0 0 0 56 63 1 6 0 0 0 57 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 66 1 6 0 0 0 64 70 1 0 0 0 0 65 71 1 0 0 0 0 67 72 1 0 0 0 0 68 75 1 0 0 0 0 69 74 1 0 0 0 0 70 78 2 0 0 0 0 71 76 2 0 0 0 0 71 77 1 0 0 0 0 73 79 1 0 0 0 0 75 82 2 0 0 0 0 76 80 1 0 0 0 0 77 81 2 0 0 0 0 78 83 1 0 0 0 0 80 84 2 0 0 0 0 81 84 1 0 0 0 0 82 85 1 0 0 0 0 83 86 2 0 0 0 0 83 87 1 0 0 0 0 85 90 2 0 0 0 0 85 91 1 0 0 0 0 86 88 1 0 0 0 0 87 89 2 0 0 0 0 88 92 2 0 0 0 0 89 92 1 0 0 0 0 90 93 1 0 0 0 0 91 94 2 0 0 0 0 93 95 2 0 0 0 0 94 95 1 0 0 0 0 M END > CHEBI:228317 > Tenuifoliose H > 2 > [(2S,3R,4R,5S)-2-[(2R,3S,4S,5R,6S)-4-[(2R,3R,4S,5S,6S)-5-acetyloxy-6-(acetyloxymethyl)-3-hydroxy-4-[(2S,3S,4R,5R,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,6S)-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 > C61H74O34 > 1351.229 > 1350.40615 > 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)COC(=O)C)[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/C61H74O34/c1-27(65)81-24-38-50(84-29(3)67)52(90-57-47(77)45(75)42(72)35(21-62)85-57)49(79)59(87-38)91-53-51(89-41(71)20-14-31-11-17-34(69)18-12-31)39(25-82-28(2)66)88-60(54(53)92-58-48(78)46(76)43(73)36(22-63)86-58)95-61(26-83-40(70)19-13-30-9-15-33(68)16-10-30)55(44(74)37(23-64)94-61)93-56(80)32-7-5-4-6-8-32/h4-20,35-39,42-55,57-60,62-64,68-69,72-79H,21-26H2,1-3H3/b19-13+,20-14+/t35-,36+,37+,38+,39+,42+,43-,44-,45-,46+,47+,48-,49-,50+,51-,52+,53+,54+,55-,57+,58+,59-,60-,61+/m1/s1 > XIFPYQUNAMJPOH-RTXITLDNSA-N $$$$