CDK 1030232201 52 55 0 0 0 0 0 0 0 0999 V2000 9.5471 -1.9176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0458 -1.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8643 -1.3637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7261 -0.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2204 -1.1518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6130 -0.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2110 0.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1651 0.2775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3829 -1.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8593 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8754 0.9213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0315 0.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7526 0.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5816 -1.3246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9539 -1.7233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1449 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9455 0.8205 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3670 -0.6723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5164 0.7488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6922 1.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4303 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3325 1.3726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3745 2.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4303 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7159 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3141 3.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9965 3.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9361 4.3878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6185 4.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1934 4.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5581 5.6744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2405 6.1380 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 11.1801 6.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8624 7.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4373 7.3199 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 11.8021 8.2473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3769 8.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.0000 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 11.0593 8.6065 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 -0.7145 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -1.2375 0.0000 C 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 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 10 6 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 2 0 0 0 0 9 15 1 0 0 0 0 10 16 1 6 0 0 0 17 10 1 0 0 0 0 12 18 2 0 0 0 0 12 19 1 0 0 0 0 13 20 1 0 0 0 0 16 21 1 0 0 0 0 17 22 1 1 0 0 0 20 23 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 23 26 1 0 0 0 0 25 27 1 0 0 0 0 26 28 2 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 29 31 2 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 31 34 1 0 0 0 0 32 35 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 35 38 1 0 0 0 0 36 39 1 0 0 0 0 38 40 1 0 0 0 0 39 41 1 0 0 0 0 40 42 2 0 0 0 0 40 43 1 0 0 0 0 41 44 1 0 0 0 0 42 45 1 0 0 0 0 43 46 2 0 0 0 0 44 47 2 0 0 0 0 44 48 1 0 0 0 0 45 49 2 0 0 0 0 47 50 1 0 0 0 0 48 51 2 0 0 0 0 50 52 2 0 0 0 0 11 13 1 0 0 0 0 13 17 1 0 0 0 0 46 49 1 0 0 0 0 51 52 1 0 0 0 0 M END > CHEBI:214146 > Zaragozic acid E > 2 > (6R,7R)-4,7-dihydroxy-6-[(E)-6-methyl-9-phenylnon-4-enoyl]oxy-1-[(E)-5-methyl-8-phenyloct-3-enyl]-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid > C40H50O12 > 722.828 > 722.33023 > 0 > O=C(O)C1(O)C2(OC(CC/C=C/C(CCCC3=CC=CC=C3)C)(OC1C(=O)O)[C@@H]([C@H]2OC(=O)CC/C=C/C(CCCC4=CC=CC=C4)C)O)C(=O)O > InChI=1S/C40H50O12/c1-27(17-13-23-29-19-5-3-6-20-29)15-9-10-25-31(41)50-33-32(42)38(26-12-11-16-28(2)18-14-24-30-21-7-4-8-22-30)51-34(35(43)44)39(49,36(45)46)40(33,52-38)37(47)48/h3-9,11,15-16,19-22,27-28,32-34,42,49H,10,12-14,17-18,23-26H2,1-2H3,(H,43,44)(H,45,46)(H,47,48)/b15-9+,16-11+/t27?,28?,32-,33-,34?,38?,39?,40?/m1/s1 > HPNWHOBVFZEFCZ-RMZZEEJUSA-N $$$$