181843 CDK 0908212311 40 45 0 0 0 0 0 0 0 0999 V2000 8.6242 -1.7607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1693 1.8284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6650 -1.6337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4413 0.5265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4710 -2.7575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2361 -1.6337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4137 4.3452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6650 -3.2836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2361 -4.1086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8073 -3.2836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0928 -2.0462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6847 0.8981 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4170 0.4486 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9323 0.4829 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4074 -0.3763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2045 0.6944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5576 -0.8254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7157 1.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3407 -0.5658 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9224 -0.3763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6839 0.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6650 -0.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2270 1.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9530 2.2609 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1590 0.9334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8412 -2.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9720 3.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9505 -2.0462 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9505 -2.8711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2361 -3.2836 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3160 3.5859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6505 3.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5217 -2.0462 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5217 -2.8711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5890 4.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8073 -1.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6644 1.1047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3225 0.1370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8920 -1.0459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0063 -0.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 26 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 22 1 0 0 0 0 28 3 1 1 0 0 0 4 25 2 0 0 0 0 5 26 2 0 0 0 0 6 28 1 0 0 0 0 6 33 1 0 0 0 0 7 32 1 0 0 0 0 7 35 1 0 0 0 0 29 8 1 6 0 0 0 30 9 1 1 0 0 0 34 10 1 6 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 12 23 1 6 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 37 1 1 0 0 0 14 20 1 0 0 0 0 14 25 1 0 0 0 0 14 38 1 1 0 0 0 15 17 1 0 0 0 0 15 22 2 0 0 0 0 16 19 1 0 0 0 0 17 21 1 0 0 0 0 17 26 1 0 0 0 0 17 39 1 6 0 0 0 18 24 1 0 0 0 0 19 21 1 0 0 0 0 19 40 1 1 0 0 0 20 22 1 0 0 0 0 24 27 1 6 0 0 0 27 31 1 0 0 0 0 27 32 2 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 34 1 0 0 0 0 31 35 2 0 0 0 0 33 34 1 0 0 0 0 33 36 1 1 0 0 0 M END > CHEBI:178149 > Diosbulbinoside D > 2 > (1R,5S,8S,10S,11S,13R)-8-(uran-3-yl)-10-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,14-dioxatetracyclo[11.2.1.02,11.05,10]hexadec-2-ene-6,15-dione > C25H30O11 > 506.504 > 506.17881 > 0 > O1[C@@]2(C[C@]3([C@]4([C@](CC(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)=C3[C@@](C2)(C1=O)[H])(C(O[C@@H](C4)C=6C=COC6)=O)[H])C)[H])[H] > InChI=1S/C25H30O11/c1-25-7-16(10-2-3-32-9-10)34-23(31)14(25)6-15(18-12-4-11(5-13(18)25)33-22(12)30)35-24-21(29)20(28)19(27)17(8-26)36-24/h2-3,9,11-14,16-17,19-21,24,26-29H,4-8H2,1H3/t11-,12+,13+,14+,16-,17+,19+,20-,21+,24+,25-/m0/s1 > KXNADXBKEHOTDP-DRXALLTBSA-N > 66756-59-0 > 66756-59-0 $$$$