Mrv1652309272006262D 43 47 0 0 1 0 999 V2000 13.4272 -7.8736 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2591 -7.8424 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2011 -8.6637 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1418 -7.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4888 -7.0488 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5341 -8.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4806 -9.0814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8867 -9.1267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7997 -6.5824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1502 -6.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4840 -9.9029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7740 -8.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8636 -6.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1502 -5.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7740 -10.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0570 -9.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5771 -6.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8636 -5.3363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0570 -9.9029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7774 -11.1420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3400 -8.6637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5771 -5.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2907 -6.9896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3191 -10.3275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4875 -11.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6265 -9.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3986 -5.1902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0075 -6.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4804 -10.8287 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7703 -10.4179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4804 -11.6570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0534 -10.8287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7703 -12.0677 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2008 -12.0677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0534 -11.6570 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3433 -10.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7703 -12.8891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3433 -12.0677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6368 -10.8287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5954 -7.9189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0910 -7.8249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8636 -4.5036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5847 -4.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 6 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 6 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 2 0 0 0 0 11 15 1 0 0 0 0 12 16 2 0 0 0 0 13 17 2 0 0 0 0 14 18 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 17 22 1 0 0 0 0 17 23 1 0 0 0 0 19 24 1 0 0 0 0 20 25 1 0 0 0 0 21 26 1 0 0 0 0 22 27 1 0 0 0 0 23 28 1 0 0 0 0 29 24 1 1 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 6 0 0 0 32 35 1 0 0 0 0 32 36 1 1 0 0 0 33 37 1 1 0 0 0 35 38 1 6 0 0 0 36 39 1 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 16 19 1 0 0 0 0 18 22 2 0 0 0 0 33 35 1 0 0 0 0 1 40 1 6 0 0 0 2 41 1 6 0 0 0 18 42 1 0 0 0 0 1 2 1 0 0 0 0 42 43 1 0 0 0 0 M END > NP0137620 > NP-MRD > [H][C@]12CO[C@H](C3=CC(OC)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(OC)=C3)[C@@]1([H])CO[C@@H]2C1=CC(OC)=C(O)C(OC)=C1 > InChI=1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3/t14-,15-,20+,22+,23-,24+,25+,26+,28-/m0/s1 > WEKCEGQSIIQPAQ-IRBNZIFYSA-N > C28H36O13 > 580.583 > 580.215591219 > 13 > 77 > 58.525946082570314 > 0 > 5 > 0 > 0 > (2S,3R,4S,5S,6R)-2-{4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 0.98 > -0.3056510773333333 > -3.10 > 1 > 5 > 0 > 12.200381847625739 > 9.302448560783015 > -2.9810923662076965 > 174.99 > 140.17100000000002 > 9 > 0 > 4.63e-01 g/l > acanthoside B > 0 > NP0137620 > Acanthoside B $$$$