6436281 -OEChem-06191301082D 119122 0 1 0 0 0 0 0999 V2000 10.8583 2.4620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5333 3.5498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7243 -0.0380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4563 0.9620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4563 2.9620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4235 -1.7437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9922 -0.0380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6939 -0.3853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3779 -2.2647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0924 -3.7968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6019 2.3630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1379 -3.2758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8526 5.8226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3224 2.4620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8372 -4.9816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5185 2.4620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7243 2.9620 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7243 0.9620 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.5903 2.4620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5903 1.4620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8583 1.4620 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.9153 3.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0663 -0.9777 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2243 4.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2243 4.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9922 0.9620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0511 -1.1513 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3931 -2.0910 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7503 -2.8571 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7655 -2.6834 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.8999 3.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5393 5.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1969 4.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1227 -3.4495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5188 5.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3224 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1884 0.9620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0544 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4952 -4.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9204 0.9620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5104 -3.8683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7865 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8676 -4.6343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6525 0.9620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8828 -4.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5185 1.4620 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2400 -5.2267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3845 0.9620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2552 -5.0531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2506 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6124 -5.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1166 0.9620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6276 -5.6455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9848 -6.4115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9826 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8486 0.9620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7147 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5807 0.9620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4467 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3127 0.9620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9882 0.5370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1272 2.1520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1272 1.7720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1221 1.8870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4557 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8307 4.6297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1595 5.1174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7802 1.5446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3816 0.8543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8391 -0.5687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7917 -1.6161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3609 -2.9647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9285 -2.5358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4563 3.5820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7377 5.8730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5910 3.9550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9107 -4.0321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6597 -3.7595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4553 -0.3480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4818 0.1973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5900 -2.8473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6938 -4.2717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9969 2.2271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1884 0.3420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0464 6.4115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0544 2.0820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9204 0.3420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2983 -3.2857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7865 2.0820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0796 -5.2169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2540 0.4871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0510 0.4871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6707 -3.8781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2546 1.8870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4521 -5.8093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3845 0.3420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0554 2.7720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0431 -4.4705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2506 2.0820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8245 -6.4017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1166 0.3420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8396 -5.0628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0907 -5.3355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7728 -6.9941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5218 -6.7215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9826 2.0820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1077 -5.6273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -6.1302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8923 -6.8484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8486 0.3420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.7147 2.0820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.1822 0.4871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.9792 0.4871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.8452 1.9370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.0482 1.9370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.0027 0.4251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.8497 0.6520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.6227 1.4989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17 1 1 6 0 0 0 1 21 1 0 0 0 0 2 17 1 0 0 0 0 2 25 1 0 0 0 0 3 18 1 0 0 0 0 23 3 1 1 0 0 0 20 4 1 1 0 0 0 4 36 1 0 0 0 0 19 5 1 6 0 0 0 5 75 1 0 0 0 0 6 23 1 0 0 0 0 6 30 1 0 0 0 0 7 26 1 0 0 0 0 7 80 1 0 0 0 0 27 8 1 6 0 0 0 8 81 1 0 0 0 0 28 9 1 1 0 0 0 9 82 1 0 0 0 0 29 10 1 1 0 0 0 10 83 1 0 0 0 0 11 31 1 0 0 0 0 11 84 1 0 0 0 0 12 34 1 0 0 0 0 12 39 1 0 0 0 0 13 35 1 0 0 0 0 13 86 1 0 0 0 0 14 36 2 0 0 0 0 15 39 2 0 0 0 0 16 46 1 0 0 0 0 16 98 1 0 0 0 0 17 19 1 0 0 0 0 17 22 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 18 62 1 0 0 0 0 19 20 1 0 0 0 0 19 63 1 0 0 0 0 20 64 1 0 0 0 0 21 26 1 0 0 0 0 21 65 1 0 0 0 0 22 24 1 0 0 0 0 22 31 2 0 0 0 0 23 27 1 0 0 0 0 23 66 1 0 0 0 0 24 25 1 0 0 0 0 24 32 2 0 0 0 0 25 67 1 0 0 0 0 25 68 1 0 0 0 0 26 69 1 0 0 0 0 26 70 1 0 0 0 0 27 28 1 0 0 0 0 27 71 1 0 0 0 0 28 29 1 0 0 0 0 28 72 1 0 0 0 0 29 30 1 0 0 0 0 29 73 1 0 0 0 0 30 34 1 0 0 0 0 30 74 1 0 0 0 0 31 33 1 0 0 0 0 32 35 1 0 0 0 0 32 76 1 0 0 0 0 33 35 2 0 0 0 0 33 77 1 0 0 0 0 34 78 1 0 0 0 0 34 79 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 85 1 0 0 0 0 38 40 1 0 0 0 0 38 87 1 0 0 0 0 39 41 1 0 0 0 0 40 42 2 0 0 0 0 40 88 1 0 0 0 0 41 43 2 0 0 0 0 41 89 1 0 0 0 0 42 44 1 0 0 0 0 42 90 1 0 0 0 0 43 45 1 0 0 0 0 43 91 1 0 0 0 0 44 46 1 0 0 0 0 44 92 1 0 0 0 0 44 93 1 0 0 0 0 45 47 2 0 0 0 0 45 94 1 0 0 0 0 46 48 1 0 0 0 0 46 95 1 0 0 0 0 47 49 1 0 0 0 0 47 96 1 0 0 0 0 48 50 2 0 0 0 0 48 97 1 0 0 0 0 49 51 2 0 0 0 0 49 99 1 0 0 0 0 50 52 1 0 0 0 0 50100 1 0 0 0 0 51 53 1 0 0 0 0 51101 1 0 0 0 0 52 55 2 0 0 0 0 52102 1 0 0 0 0 53 54 1 0 0 0 0 53103 1 0 0 0 0 53104 1 0 0 0 0 54 56 1 0 0 0 0 54105 1 0 0 0 0 54106 1 0 0 0 0 55 57 1 0 0 0 0 55107 1 0 0 0 0 56108 1 0 0 0 0 56109 1 0 0 0 0 56110 1 0 0 0 0 57 58 2 0 0 0 0 57111 1 0 0 0 0 58 59 1 0 0 0 0 58112 1 0 0 0 0 59 60 1 0 0 0 0 59113 1 0 0 0 0 59114 1 0 0 0 0 60 61 1 0 0 0 0 60115 1 0 0 0 0 60116 1 0 0 0 0 61117 1 0 0 0 0 61118 1 0 0 0 0 61119 1 0 0 0 0 M END > 6436281 > 1 > 1600 > 16 > 8 > 22 > AAADcfB8PgAAAAAAAAAAAAAAAAAAASAAAAA0SIAAAAAAAEgBAAAAGgAACAAADBSwmAMyDoAABgCIAiDSCAACAAAgIAAIiAAGCMgZNyKCMRqicAAlwBUPuYfA4PwOoAABCAAYAABAAAIQADAAAAAAAAAAAA== > [(3S,3'R,4'R)-5'-[(2S,3R,4S,5R)-6-[[(2E,4E,6E)-deca-2,4,6-trienoyl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-3',4,6-trihydroxy-6'-(hydroxymethyl)spiro[1H-isobenzofuran-3,2'-tetrahydropyran]-4'-yl] (2E,4E,8E,10E,12E)-7-hydroxyhexadeca-2,4,8,10,12-pentaenoate > (2E,4E,8E,10E,12E)-7-hydroxyhexadeca-2,4,8,10,12-pentaenoic acid [(3S,3'R,4'R)-3',4,6-trihydroxy-6'-(hydroxymethyl)-5'-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-6-[[(2E,4E,6E)-1-oxodeca-2,4,6-trienoxy]methyl]-2-oxanyl]oxy]-4'-spiro[1H-isobenzofuran-3,2'-oxane]yl] ester > [(3S,3'R,4'R)-5'-[(2S,3R,4S,5R)-6-[[(2E,4E,6E)-deca-2,4,6-trienoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3',4,6-trihydroxy-6'-(hydroxymethyl)spiro[1H-2-benzofuran-3,2'-oxane]-4'-yl] (2E,4E,8E,10E,12E)-7-hydroxyhexadeca-2,4,8,10,12-pentaenoate > [(3S,3'R,4'R)-5'-[(2S,3R,4S,5R)-6-[[(2E,4E,6E)-deca-2,4,6-trienoyl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6'-(hydroxymethyl)-3',4,6-tris(oxidanyl)spiro[1H-2-benzofuran-3,2'-oxane]-4'-yl] (2E,4E,8E,10E,12E)-7-oxidanylhexadeca-2,4,8,10,12-pentaenoate > (2E,4E,8E,10E,12E)-7-hydroxyhexadeca-2,4,8,10,12-pentaenoic acid [(1S,3'R,4'R)-5'-[(2S,3R,4S,5R)-6-[[(2E,4E,6E)-deca-2,4,6-trienoyl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-3',5,7-trihydroxy-6'-methylol-spiro[phthalan-1,2'-tetrahydropyran]-4'-yl] ester > InChI=1S/C45H58O16/c1-3-5-7-9-11-13-16-20-30(47)21-17-15-19-23-36(51)59-42-41(33(26-46)61-45(43(42)55)37-29(27-57-45)24-31(48)25-32(37)49)60-44-40(54)39(53)38(52)34(58-44)28-56-35(50)22-18-14-12-10-8-6-4-2/h7-20,22-25,30,33-34,38-44,46-49,52-55H,3-6,21,26-28H2,1-2H3/b9-7+,10-8+,13-11+,14-12+,17-15+,20-16+,22-18+,23-19+/t30?,33?,34?,38-,39-,40+,41?,42-,43+,44-,45-/m0/s1 > JSBUKGAJQOVJAQ-OPRWIHDJSA-N > 3.5 > 854.372486 > C45H58O16 > 854.93242 > CCCC=CC=CC=CC(CC=CC=CC(=O)OC1C(C(OC2(C1O)C3=C(C=C(C=C3CO2)O)O)CO)OC4C(C(C(C(O4)COC(=O)C=CC=CC=CCCC)O)O)O)O > CCC/C=C/C=C/C=C/C(C/C=C/C=C/C(=O)O[C@@H]1[C@H]([C@]2(C3=C(C=C(C=C3CO2)O)O)OC(C1O[C@H]4[C@@H]([C@H]([C@H](C(O4)COC(=O)/C=C/C=C/C=C/CCC)O)O)O)CO)O)O > 251 > 854.372486 > 0 > 61 > 7 > 4 > 8 > 0 > 0 > 1 > 27 > 1 5 255 > 17 1 6 29 10 5 18 62 3 21 65 3 22 24 8 22 31 8 24 32 8 23 3 5 30 74 3 31 33 8 32 35 8 33 35 8 20 4 5 46 95 3 19 5 6 27 8 6 28 9 5 $$$$