Mrv1652312212221122D 104112 0 0 1 0 999 V2000 5.5018 -0.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7358 -0.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5672 -1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1704 0.3867 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9950 0.3610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4296 1.0622 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0396 1.7892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4742 2.4905 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0842 3.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2596 3.2432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8696 3.9702 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0450 3.9960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6551 4.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0897 5.4242 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6997 6.1512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9143 5.3985 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3489 6.0997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3043 4.6715 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1289 4.6457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2988 2.4647 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7334 3.1659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6888 1.7377 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5134 1.7119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 1.0365 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6442 0.3094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4688 0.2837 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9034 0.9849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7280 0.9592 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1626 1.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1180 0.2322 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9426 0.2064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6834 -0.4691 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0733 -1.1961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8588 -0.4433 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4242 -1.1446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8141 -1.8716 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6387 -1.8973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0287 -2.6243 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8533 -2.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2433 -3.3771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5941 -3.3256 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9841 -4.0526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7695 -3.2998 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3349 -4.0010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7249 -4.7281 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5495 -4.7538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9395 -5.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5049 -6.1821 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8949 -6.9091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6803 -6.1563 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2457 -6.8575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2903 -5.4293 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4657 -5.4035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3795 -2.5728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5549 -2.5470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1203 -3.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5103 -3.9753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2957 -3.2225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7804 1.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9558 1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5212 0.4383 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1312 1.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9112 -0.2887 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3012 -1.0157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -0.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6520 -0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 -0.2372 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7565 -0.8892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6966 0.4640 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0866 -0.2630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1640 1.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4002 0.7822 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6989 1.2168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4608 -0.0406 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7002 0.2790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8307 -0.5732 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2981 0.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3633 -1.2032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2007 -1.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5756 -0.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2056 -1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9819 -1.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1281 -0.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6119 -1.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3882 -1.3331 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5345 -0.5212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0182 -1.8657 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7945 -1.5864 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5152 -0.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0738 -2.3627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5708 -1.3071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2008 -1.8397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9771 -1.5604 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.6071 -2.0930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3834 -1.8137 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.0135 -2.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7897 -2.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5297 -1.0017 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.3059 -0.7224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8996 -0.4691 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.0459 0.3428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1234 -0.7484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4933 -0.2158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8720 -2.6776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 6 0 0 0 6 5 1 6 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 6 0 0 0 9 10 1 0 0 0 0 11 10 1 6 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 1 0 0 0 14 16 1 0 0 0 0 16 17 1 6 0 0 0 16 18 1 0 0 0 0 11 18 1 0 0 0 0 18 19 1 1 0 0 0 8 20 1 0 0 0 0 20 21 1 1 0 0 0 20 22 1 0 0 0 0 22 23 1 6 0 0 0 22 24 1 0 0 0 0 6 24 1 0 0 0 0 24 25 1 1 0 0 0 26 25 1 6 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 1 0 0 0 28 30 1 0 0 0 0 30 31 1 6 0 0 0 30 32 1 0 0 0 0 32 33 1 1 0 0 0 32 34 1 0 0 0 0 26 34 1 0 0 0 0 34 35 1 1 0 0 0 36 35 1 6 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 6 0 0 0 39 40 1 0 0 0 0 38 41 1 0 0 0 0 41 42 1 1 0 0 0 41 43 1 0 0 0 0 43 44 1 6 0 0 0 45 44 1 6 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 6 0 0 0 48 50 1 0 0 0 0 50 51 1 6 0 0 0 50 52 1 0 0 0 0 45 52 1 0 0 0 0 52 53 1 1 0 0 0 43 54 1 0 0 0 0 36 54 1 0 0 0 0 54 55 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 58 2 0 0 0 0 4 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 6 0 0 0 61 63 1 0 0 0 0 2 63 1 0 0 0 0 63 64 1 1 0 0 0 63 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 6 0 0 0 67 69 1 0 0 0 0 61 69 1 0 0 0 0 69 70 1 1 0 0 0 69 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 6 0 0 0 72 74 1 0 0 0 0 67 74 1 0 0 0 0 74 75 1 1 0 0 0 74 76 1 6 0 0 0 76 77 1 1 0 0 0 76 78 1 1 0 0 0 76 79 1 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 81 82 2 0 0 0 0 82 83 1 0 0 0 0 82 84 1 0 0 0 0 84 85 1 0 0 0 0 85 86 1 1 0 0 0 85 87 1 0 0 0 0 87 88 1 0 0 0 0 88 89 1 6 0 0 0 88 90 1 6 0 0 0 88 91 1 0 0 0 0 91 92 1 0 0 0 0 93 92 1 6 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 95 96 1 6 0 0 0 96 97 1 0 0 0 0 95 98 1 0 0 0 0 98 99 1 1 0 0 0 98100 1 0 0 0 0 100101 1 6 0 0 0 100102 1 0 0 0 0 93102 1 0 0 0 0 102103 1 1 0 0 0 87104 1 1 0 0 0 M END > NP0331227 > NP-MRD > [H][C@]12C[C@@H](O)[C@@]([H])([C@](C)(O)CC\C=C(/C)C[C@H](O)[C@@H](O)[C@@](C)(O)CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@H](CC[C@]21C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@H]1NC(C)=O > InChI=1S/C66H113NO34/c1-25(17-29(72)55(87)66(9,89)24-93-59-50(86)45(81)42(78)32(19-68)96-59)11-10-14-65(8,88)54-28(71)18-36-63(6)16-13-37(62(4,5)35(63)12-15-64(36,54)7)98-61-53(47(83)43(79)34(97-61)23-92-57-48(84)40(76)30(73)21-90-57)101-60-52(46(82)39(75)26(2)94-60)100-56-38(67-27(3)70)51(44(80)33(20-69)95-56)99-58-49(85)41(77)31(74)22-91-58/h11,26,28-61,68-69,71-89H,10,12-24H2,1-9H3,(H,67,70)/b25-11+/t26-,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+,56-,57-,58-,59+,60-,61-,63-,64+,65+,66-/m0/s1 > YYWJGSQTTOZINO-CYWLAOIWSA-N > C66H113NO34 > 1464.603 > 1463.714399723 > NP0331227 > Astramalabaricoside L $$$$