42607363 CDK 0908232200 45 45 0 0 0 0 0 0 0 0999 V2000 3.5219 -8.1716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 -8.1716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 -10.6466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0929 -9.8216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 -9.8216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0929 -7.3466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 -5.6966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5245 9.1534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6679 10.3909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 -9.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -9.4091 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2364 -9.4091 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8075 -8.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 -8.5841 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0929 -8.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 -6.1091 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9508 -7.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 -6.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 -5.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 -4.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0943 -4.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0943 -3.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8087 -3.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8087 -2.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5232 -1.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5232 -1.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2377 -0.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2377 0.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9521 0.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9521 1.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6666 1.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6666 2.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3811 2.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3811 3.7909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0956 4.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0956 5.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8100 5.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8100 6.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5245 6.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5245 7.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2390 7.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2390 8.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9535 9.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9535 9.9784 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2390 10.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 14 2 1 6 0 0 0 2 17 1 0 0 0 0 3 10 1 0 0 0 0 11 4 1 6 0 0 0 12 5 1 1 0 0 0 6 15 1 0 0 0 0 16 7 1 6 0 0 0 8 42 2 0 0 0 0 44 9 1 1 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 M END > CHEBI:197258 > 1-(O-alpha-D-glucopyranosyl)-27-keto-(1,3R,29R)-triacontanetriol > 2 > (2R,28R)-2,28-dihydroxy-30-[(2S,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytriacontan-4-one > C36H70O9 > 646.947 > 646.50198 > 0 > O1C([C@@H](O)C(O)[C@H](O)[C@H]1OCC[C@H](O)CCCCCCCCCCCCCCCCCCCCCCCC(=O)C[C@H](O)C)CO > InChI=1S/C36H70O9/c1-29(38)27-31(40)24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-30(39)25-26-44-36-35(43)34(42)33(41)32(28-37)45-36/h29-30,32-39,41-43H,2-28H2,1H3/t29-,30-,32?,33-,34?,35+,36+/m1/s1 > FLTYZENFEZKFQJ-FKZAWVABSA-N > LMFA13010029 $$$$