44631480 -OEChem-04262421542D 83 87 0 1 0 0 0 0 0999 V2000 8.1381 0.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4120 -1.6749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8628 -1.1824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4291 -1.4139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6040 1.1977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6638 0.4339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2640 1.0967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6343 1.6872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8118 -2.3378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8897 4.8090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7108 2.8831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7503 5.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1080 1.7502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1080 3.7985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0550 -0.3595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5162 6.3436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2901 5.3195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3511 -5.9028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5515 -4.5771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3340 -6.1638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2373 -2.6090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9855 -4.7178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0026 -4.4568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6381 0.0423 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0293 -0.7510 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.6040 -0.2165 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0379 -0.6205 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3111 0.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6552 0.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6381 1.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7721 2.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7721 3.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6381 3.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5041 3.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8032 -2.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5041 2.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8781 1.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8781 3.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4377 -1.2834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6220 4.8159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1859 -3.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4141 3.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9720 2.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9720 3.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5201 5.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4221 4.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8289 -2.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1774 -3.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5772 -4.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2116 -3.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -1.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9599 -5.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5601 -4.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9513 -5.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2287 -2.7395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6028 -3.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6114 -3.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0194 0.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6519 -1.2429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1656 -0.6549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4232 -0.5396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7495 0.0522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7495 0.9290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4617 -1.3429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8853 1.1197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9474 3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4265 1.0067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5548 -3.0308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9625 -4.1046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3564 5.1251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8263 -3.0815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6002 -1.3734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7431 5.9258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5698 3.4906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5698 2.0581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0519 6.6557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8258 5.0074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7364 -5.8218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7888 -5.1499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9566 -6.6557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6081 -5.2097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3879 -4.3758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 30 1 0 0 0 0 2 25 1 0 0 0 0 2 35 1 0 0 0 0 3 26 1 0 0 0 0 3 64 1 0 0 0 0 4 27 1 0 0 0 0 4 39 1 0 0 0 0 5 28 1 0 0 0 0 5 36 1 0 0 0 0 6 29 1 0 0 0 0 6 67 1 0 0 0 0 7 29 2 0 0 0 0 8 30 2 0 0 0 0 9 35 2 0 0 0 0 10 38 1 0 0 0 0 10 70 1 0 0 0 0 11 36 2 0 0 0 0 12 40 1 0 0 0 0 12 73 1 0 0 0 0 13 43 1 0 0 0 0 13 75 1 0 0 0 0 14 44 1 0 0 0 0 14 74 1 0 0 0 0 15 39 2 0 0 0 0 16 45 1 0 0 0 0 16 76 1 0 0 0 0 17 46 1 0 0 0 0 17 77 1 0 0 0 0 18 52 1 0 0 0 0 18 78 1 0 0 0 0 19 53 1 0 0 0 0 19 79 1 0 0 0 0 20 54 1 0 0 0 0 20 80 1 0 0 0 0 21 55 1 0 0 0 0 21 81 1 0 0 0 0 22 56 1 0 0 0 0 22 82 1 0 0 0 0 23 57 1 0 0 0 0 23 83 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 58 1 0 0 0 0 25 27 1 0 0 0 0 25 59 1 0 0 0 0 26 28 1 0 0 0 0 26 60 1 0 0 0 0 27 29 1 0 0 0 0 27 61 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 37 2 0 0 0 0 32 33 1 0 0 0 0 32 38 2 0 0 0 0 33 34 1 0 0 0 0 33 40 2 0 0 0 0 34 36 1 0 0 0 0 34 42 2 0 0 0 0 35 41 1 0 0 0 0 37 43 1 0 0 0 0 37 65 1 0 0 0 0 38 44 1 0 0 0 0 39 47 1 0 0 0 0 40 45 1 0 0 0 0 41 48 2 0 0 0 0 41 49 1 0 0 0 0 42 46 1 0 0 0 0 42 66 1 0 0 0 0 43 44 2 0 0 0 0 45 46 2 0 0 0 0 47 50 2 0 0 0 0 47 51 1 0 0 0 0 48 53 1 0 0 0 0 48 68 1 0 0 0 0 49 52 2 0 0 0 0 49 69 1 0 0 0 0 50 56 1 0 0 0 0 50 71 1 0 0 0 0 51 55 2 0 0 0 0 51 72 1 0 0 0 0 52 54 1 0 0 0 0 53 54 2 0 0 0 0 55 57 1 0 0 0 0 56 57 2 0 0 0 0 M END > 44631480 > 1 > 1450 > 23 > 14 > 9 > AAADceB8PgAAAAAAAAAAAAAAAAAAAAAAAAAwYMGAAAAAAAABVAAAGgAACAAADBSgmAIwDoAABgCIAiDSCAICAAAkIAAAiAFGiMgJNzaCNR6CcQEl4BULuYfK7PzOoAABCAAYQABAAAIQADCAAAAAAAAAAA== > 3-(3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl)-2,3-bis[(3,4,5-trihydroxybenzoyl)oxy]propanoic acid > 3-(3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl)-2,3-bis[oxo-(3,4,5-trihydroxyphenyl)methoxy]propanoic acid > 3-(3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl)-2,3-bis[(3,4,5-trihydroxybenzoyl)oxy]propanoic acid > 3-(3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl)-2,3-bis[(3,4,5-trihydroxybenzoyl)oxy]propanoic acid > 3-[3,4,5,11,17,18,19-heptakis(oxidanyl)-8,14-bis(oxidanylidene)-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-2,3-bis[[3,4,5-tris(oxidanyl)phenyl]carbonyloxy]propanoic acid > 2,3-digalloyloxy-3-(3,4,5,11,17,18,19-heptahydroxy-8,14-diketo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl)propionic acid > InChI=1S/C34H26O23/c35-12-1-8(2-13(36)21(12)42)31(50)56-28(29(30(48)49)57-32(51)9-3-14(37)22(43)15(38)4-9)27-18(41)7-54-33(52)10-5-16(39)23(44)25(46)19(10)20-11(34(53)55-27)6-17(40)24(45)26(20)47/h1-6,18,27-29,35-47H,7H2,(H,48,49) > KZEYIYXACMUTRM-UHFFFAOYSA-N > 1 > 802.08648707 > C34H26O23 > 802.6 > C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)O1)O)O)O)O)O)O)C(C(C(=O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O > C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)O1)O)O)O)O)O)O)C(C(C(=O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O > 406 > 802.08648707 > 0 > 57 > 0 > 4 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 24 1 3 25 2 3 27 29 3 26 3 3 31 32 8 31 37 8 32 38 8 33 34 8 33 40 8 34 42 8 37 43 8 38 44 8 40 45 8 41 48 8 41 49 8 42 46 8 43 44 8 45 46 8 47 50 8 47 51 8 48 53 8 49 52 8 50 56 8 51 55 8 52 54 8 53 54 8 55 57 8 56 57 8 $$$$