Mrv1652309062221502D 36 38 0 0 1 0 999 V2000 4.0866 -5.8707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3722 -5.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6577 -5.8707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3722 -4.6332 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0866 -4.2207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8011 -4.6332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8011 -5.4582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5156 -4.2207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5156 -3.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2301 -2.9832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2301 -2.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9445 -1.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6590 -2.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3735 -1.7457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6590 -2.9832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9445 -3.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6577 -4.2207 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9040 -4.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3520 -3.9431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5315 -4.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0466 -3.3619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7739 -3.4482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2588 -2.7807 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0793 -2.8670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5642 -2.1995 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3847 -2.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7202 -3.0394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2287 -1.4459 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7136 -0.7784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4082 -1.3596 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0726 -0.6060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9232 -2.0271 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1028 -1.9408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7645 -3.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5715 -3.4002 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 2 4 1 0 0 0 0 4 5 1 6 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 10 16 1 0 0 0 0 17 4 1 6 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 23 22 1 6 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 6 0 0 0 26 27 1 0 0 0 0 25 28 1 0 0 0 0 28 29 1 1 0 0 0 28 30 1 0 0 0 0 30 31 1 6 0 0 0 30 32 1 0 0 0 0 23 32 1 0 0 0 0 32 33 1 1 0 0 0 19 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 17 36 1 0 0 0 0 M END > NP0236848 > NP-MRD > CC(=C)[C@@H](OC(=O)\C=C\C1=CC=C(O)C=C1)[C@@H]1C\C(=C\CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O1 > InChI=1S/C25H30O11/c1-13(2)23(36-19(28)8-5-14-3-6-16(27)7-4-14)17-11-15(24(32)34-17)9-10-33-25-22(31)21(30)20(29)18(12-26)35-25/h3-9,17-18,20-23,25-27,29-31H,1,10-12H2,2H3/b8-5+,15-9-/t17-,18+,20+,21-,22+,23+,25+/m0/s1 > YIAMHLDJJPJHOO-FCCPMCCSSA-N > C25H30O11 > 506.504 > 506.178811786 > 9 > 66 > 52.00650239059958 > 1 > 5 > 0 > 0 > (1R)-2-methyl-1-[(2S,4Z)-5-oxo-4-(2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethylidene)oxolan-2-yl]prop-2-en-1-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate > 1.3035891 > 1 > 3 > 0 > 12.211124009073993 > 9.39788018911217 > -2.9810835511400438 > 172.21 > 125.1735 > 10 > 0 > (1R)-2-methyl-1-[(2S,4Z)-5-oxo-4-(2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethylidene)oxolan-2-yl]prop-2-en-1-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate > 0 > NP0236848 > (1r)-2-methyl-1-[(2s,4z)-5-oxo-4-(2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethylidene)oxolan-2-yl]prop-2-en-1-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate $$$$