91884923 CDK 1203211124 37 39 0 0 0 0 0 0 0 0999 V2000 4.2364 -1.3654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 -1.3654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 -3.8404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -3.0154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 -3.0154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0929 -1.7779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 -0.5404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8087 -1.7779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2377 -2.6029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6666 -1.7779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 3.5846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 -3.0154 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5219 -2.6029 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9508 -2.6029 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5219 -1.7779 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9508 -1.7779 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8075 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0943 -0.5404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6654 -0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 -0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8087 -0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 -0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0943 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 0.6971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 1.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5232 -0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 0.6971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5232 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2377 -0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 1.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2377 -1.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9521 -0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9521 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 -0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 2.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 3.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9521 -3.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 16 2 1 1 0 0 0 2 19 1 0 0 0 0 12 3 1 1 0 0 0 13 4 1 6 0 0 0 14 5 1 6 0 0 0 6 17 1 0 0 0 0 7 22 1 0 0 0 0 7 34 1 0 0 0 0 8 23 1 0 0 0 0 9 31 1 0 0 0 0 9 37 1 0 0 0 0 10 33 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 1 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 18 23 1 1 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 24 1 0 0 0 0 21 26 1 0 0 0 0 22 27 2 0 0 0 0 24 25 2 0 0 0 0 25 27 1 0 0 0 0 25 30 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 28 31 1 0 0 0 0 29 32 2 0 0 0 0 30 35 2 0 0 0 0 31 33 2 0 0 0 0 32 33 1 0 0 0 0 35 36 1 0 0 0 0 M END > CHEBI:187200 > Icariside E5 > 2 > (2S,3R,4S,5S,6R)-2-[2-[(2R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol > C26H34O11 > 522.547 > 522.21011 > 0 > O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C([C@@H](CC3=CC(OC)=C(O)C=C3)CO)C=C(C=C2OC)/C=C/CO)CO > InChI=1S/C26H34O11/c1-34-19-10-15(5-6-18(19)30)8-16(12-28)17-9-14(4-3-7-27)11-20(35-2)25(17)37-26-24(33)23(32)22(31)21(13-29)36-26/h3-6,9-11,16,21-24,26-33H,7-8,12-13H2,1-2H3/b4-3+/t16-,21+,22+,23-,24+,26-/m0/s1 > UFFRBCKYXMEITK-RUBGFCLFSA-N $$$$