11968794 CDK 0304221202 45 49 0 0 0 0 0 0 0 0999 V2000 5.6654 -1.9841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 -1.9841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 0.0784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 -1.1591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 -3.6341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 -4.4591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -3.6341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 1.3159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 0.4909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0929 -2.3966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8087 -0.7466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0943 -1.9841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0943 2.9659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0943 0.4909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5367 0.4623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0066 2.9858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 2.5534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 4.2034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 -1.1591 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9508 -2.3966 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9508 -0.7466 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9508 -3.2216 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2364 -3.6341 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5219 -3.2216 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3798 -0.7466 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9508 0.0784 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5219 -2.3966 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6654 0.4909 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8075 -1.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0943 -1.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 1.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 2.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0943 1.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8087 1.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 2.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8087 2.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5463 1.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5463 2.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 2.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 3.7909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2937 1.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2937 2.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 2.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 4.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 3.7909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19 1 1 1 0 0 0 20 1 1 1 0 0 0 2 20 1 0 0 0 0 2 27 1 0 0 0 0 3 25 1 0 0 0 0 3 28 1 0 0 0 0 21 4 1 6 0 0 0 22 5 1 6 0 0 0 23 6 1 1 0 0 0 24 7 1 6 0 0 0 28 8 1 6 0 0 0 8 31 1 0 0 0 0 26 9 1 1 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 12 30 2 0 0 0 0 13 32 1 0 0 0 0 13 36 1 0 0 0 0 14 33 2 0 0 0 0 15 37 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 18 45 1 0 0 0 0 19 21 1 0 0 0 0 19 25 1 0 0 0 0 20 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 27 1 0 0 0 0 25 30 1 6 0 0 0 26 28 1 0 0 0 0 27 29 1 1 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 35 1 0 0 0 0 33 34 1 0 0 0 0 34 36 1 0 0 0 0 34 37 2 0 0 0 0 35 39 2 0 0 0 0 35 40 1 0 0 0 0 36 38 2 0 0 0 0 37 41 1 0 0 0 0 38 42 1 0 0 0 0 39 43 1 0 0 0 0 40 44 2 0 0 0 0 41 42 2 0 0 0 0 43 45 2 0 0 0 0 44 45 1 0 0 0 0 M END > CHEBI:190023 > Nelumboside > 2 > (2S,3S,4R,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid > C27H28O18 > 640.503 > 640.12756 > 0 > O([C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1C(O)=O)OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO > InChI=1S/C27H28O18/c28-6-13-15(33)17(35)19(37)26(42-13)44-23-18(36)20(38)27(45-24(23)25(39)40)43-22-16(34)14-11(32)4-8(29)5-12(14)41-21(22)7-1-2-9(30)10(31)3-7/h1-5,13,15,17-20,23-24,26-33,35-38H,6H2,(H,39,40)/t13-,15-,17+,18-,19-,20-,23+,24+,26+,27-/m1/s1 > RFPZGZUMXXMVEL-UBSYNHCDSA-N $$$$