Mrv1652306192121493D 69 73 0 0 0 0 999 V2000 -1.7978 -2.2305 0.2896 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5722 -1.3206 -0.5044 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3992 -0.0887 -0.5719 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2711 0.1819 0.4677 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5719 0.5730 1.6786 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1575 0.7308 1.5134 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4686 1.1157 2.7109 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0255 1.2896 2.3839 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5978 0.0475 1.9510 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0274 0.1099 1.8906 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4931 1.1216 0.9905 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6954 0.6404 -0.3359 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8542 -0.3633 -0.3888 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7152 -1.2383 -1.5236 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9317 -1.1879 0.9058 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4627 -2.4904 0.6040 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5502 -1.3053 1.5438 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6390 -2.1400 2.7111 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6909 0.0852 3.8257 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0713 0.5078 5.0446 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1910 -0.0845 4.0693 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3902 -1.1017 5.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9126 -0.4541 2.7768 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3250 -0.5004 3.0446 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2161 0.7371 -1.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9809 1.9873 -1.7848 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3845 1.9887 -1.7938 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0957 3.1814 -1.9551 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4006 4.3753 -2.1123 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0523 5.5617 -2.2716 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0116 4.3952 -2.1139 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3021 3.2031 -1.9542 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2541 0.5493 -2.6029 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3035 -0.4185 -2.3986 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8262 -0.3873 -3.2128 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8430 -1.3099 -2.9911 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0067 -1.1668 -3.6879 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7197 -2.3115 -2.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 -2.3484 -1.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5267 -3.3249 -0.2774 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4182 -1.3861 -1.4031 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9960 1.5491 1.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8461 2.0972 3.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5585 1.6642 3.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1317 2.0138 1.5682 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3892 0.3794 2.8907 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7609 0.2139 -0.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9228 1.4955 -0.9815 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8041 0.1676 -0.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2078 -2.0455 -1.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6217 -0.7163 1.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2722 -3.0257 1.4035 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8666 -1.8228 0.8614 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7302 -2.1956 3.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2569 -0.8858 3.5572 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4227 -0.0988 5.7293 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6144 0.8321 4.4992 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3496 -1.2958 5.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6258 -1.4672 2.4796 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7476 -0.7377 2.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9356 1.0576 -1.6792 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1808 3.1562 -1.9576 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0089 5.3938 -2.2786 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4812 5.3346 -2.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2145 3.2315 -1.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9417 0.3792 -3.9733 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7376 -1.3556 -3.0557 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5115 -3.0388 -1.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3413 -3.2518 0.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 10 17 1 0 0 0 0 36 38 2 0 0 0 0 17 15 1 0 0 0 0 38 39 1 0 0 0 0 39 41 2 0 0 0 0 15 13 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 34 41 1 0 0 0 0 13 12 1 0 0 0 0 12 11 1 0 0 0 0 11 10 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 34 33 1 0 0 0 0 41 2 1 0 0 0 0 2 3 1 0 0 0 0 3 25 2 0 0 0 0 25 33 1 0 0 0 0 17 18 1 0 0 0 0 5 6 1 0 0 0 0 26 27 2 0 0 0 0 6 7 1 0 0 0 0 27 28 1 0 0 0 0 7 19 1 0 0 0 0 28 29 2 0 0 0 0 19 21 1 0 0 0 0 29 31 1 0 0 0 0 21 23 1 0 0 0 0 31 32 2 0 0 0 0 32 26 1 0 0 0 0 25 26 1 0 0 0 0 23 5 1 0 0 0 0 2 1 2 0 0 0 0 39 40 1 0 0 0 0 19 20 1 0 0 0 0 36 37 1 0 0 0 0 29 30 1 0 0 0 0 3 4 1 0 0 0 0 10 9 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 5 4 1 0 0 0 0 14 50 1 0 0 0 0 10 46 1 1 0 0 0 13 49 1 6 0 0 0 15 51 1 1 0 0 0 16 52 1 0 0 0 0 17 53 1 6 0 0 0 18 54 1 0 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 5 42 1 1 0 0 0 19 55 1 6 0 0 0 20 56 1 0 0 0 0 24 60 1 0 0 0 0 23 59 1 6 0 0 0 7 43 1 1 0 0 0 8 44 1 0 0 0 0 8 45 1 0 0 0 0 22 58 1 0 0 0 0 21 57 1 1 0 0 0 38 68 1 0 0 0 0 35 66 1 0 0 0 0 27 61 1 0 0 0 0 28 62 1 0 0 0 0 31 64 1 0 0 0 0 32 65 1 0 0 0 0 40 69 1 0 0 0 0 37 67 1 0 0 0 0 30 63 1 0 0 0 0 M END > NP0027755 > NP-MRD > [H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=C(O[C@]2([H])O[C@]([H])(C([H])([H])O[C@]3([H])OC([H])([H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])C(=O)C2=C(O[H])C([H])=C(O[H])C([H])=C2O1 > InChI=1S/C26H28O15/c27-10-3-1-9(2-4-10)23-24(19(33)16-12(29)5-11(28)6-14(16)39-23)41-26-22(36)20(34)18(32)15(40-26)8-38-25-21(35)17(31)13(30)7-37-25/h1-6,13,15,17-18,20-22,25-32,34-36H,7-8H2/t13-,15+,17-,18+,20-,21+,22+,25-,26-/m0/s1 > YJPZWZRYHLEDNA-KSPKLRDJSA-N > C26H28O15 > 580.495 > 580.142820202 > 15 > 69 > 53.78251583478088 > 0 > 9 > 0 > 0 > 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one > -0.27 > -0.9817706779999993 > -2.26 > 1 > 5 > -1 > 7.869688214879383 > 6.372347892426358 > -3.648686042866199 > 245.28999999999996 > 133.74540000000002 > 6 > 0 > 3.21e+00 g/l > 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}chromen-4-one > 0 > NP0027755 > kaempferol 3-O-alpha-arabinopyranosyl(1-6)-beta-glucopyranoside $$$$