CDK 1030232200 34 35 0 0 0 0 0 0 0 0999 V2000 2.8580 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2869 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5724 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 2.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0014 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.4751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1435 -2.4751 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1435 1.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8580 2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 -2.8876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0165 -3.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8415 -3.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.4751 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7145 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1435 -2.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 6 0 0 0 4 6 1 6 0 0 0 7 4 1 1 0 0 0 5 8 1 0 0 0 0 9 5 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 9 14 1 6 0 0 0 9 15 1 0 0 0 0 16 10 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 19 14 1 0 0 0 0 20 15 1 0 0 0 0 21 16 1 0 0 0 0 16 22 1 1 0 0 0 18 23 2 0 0 0 0 19 24 1 0 0 0 0 19 25 1 1 0 0 0 20 26 1 1 0 0 0 21 27 1 1 0 0 0 24 28 1 0 0 0 0 24 29 1 0 0 0 0 30 25 1 0 0 0 0 30 31 1 1 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 18 21 1 0 0 0 0 20 24 1 0 0 0 0 M END > CHEBI:207953 > 18-O-demethylpederin > 2 > (2S)-2-hydroxy-N-[(S)-[(2S,4R,6R)-4-hydroxy-6-[(2S)-3-hydroxy-2-methoxypropyl]-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide > C24H43NO9 > 489.606 > 489.29378 > 0 > O=C(N[C@@H](OC)[C@H]1O[C@@H](C(C)(C)[C@@H](C1)O)C[C@H](OC)CO)[C@@H](O)[C@@]2(O[C@@H]([C@H](C)C(C2)=C)C)OC > InChI=1S/C24H43NO9/c1-13-11-24(32-8,34-15(3)14(13)2)20(28)21(29)25-22(31-7)17-10-18(27)23(4,5)19(33-17)9-16(12-26)30-6/h14-20,22,26-28H,1,9-12H2,2-8H3,(H,25,29)/t14-,15-,16+,17+,18-,19-,20-,22+,24-/m1/s1 > RYMNJJUXEZDWPS-FQZCGRDXSA-N $$$$