16131433 -OEChem-04252412392D 112122 0 1 0 0 0 0 0999 V2000 8.1131 -3.8342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3223 -0.8624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9928 -3.9024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5554 0.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2745 -1.9114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1175 1.1687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1776 -4.5309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5740 -2.7767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6884 -0.4964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1239 -1.3530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9149 -5.4971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5695 -2.5438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2343 -4.7476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6340 0.9905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9147 1.1663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3905 -2.2150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3425 -3.4165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2153 -1.2317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7369 0.6614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4538 1.4468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6026 1.6580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6159 1.8883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9622 2.8696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0984 5.2642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7388 2.9064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1264 5.4706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1053 4.8543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1261 5.9114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7559 4.3888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4563 -2.3624 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.3223 -2.8624 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4563 -1.3624 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7193 -3.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1884 -2.3624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7341 -0.3757 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1244 -3.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8292 -3.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2299 -2.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6912 -2.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9098 0.1905 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.1884 -1.3624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6356 -3.1224 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0768 -3.7398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5295 -4.7848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6360 -1.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0033 -3.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0713 -0.3543 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4988 -4.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2036 -1.7831 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5637 -2.6513 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3849 -0.4114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5804 0.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4041 -3.7622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1802 0.0994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5690 -1.6449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8067 -0.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0920 0.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2515 -0.9651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3742 1.8376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0155 -0.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4031 -0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8133 -0.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0432 2.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0062 0.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4164 0.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3960 2.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7339 3.5319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0128 0.9705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 2.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7557 3.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0586 2.3490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4187 4.3168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7614 3.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4392 4.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4489 4.7350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0646 3.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4316 4.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7349 4.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8896 -2.1109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8422 -1.2776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2452 -0.7267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4856 0.4204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7887 -5.3480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 -3.7883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0502 -4.2545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6238 -0.6357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5744 -1.2861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3143 -2.0837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6277 0.3808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8989 -0.4531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0975 -2.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9512 0.8466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6764 -1.6343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1697 -6.0623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2036 -3.0443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0190 -0.1339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4436 -1.2477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7108 -5.1444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9514 -1.9507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8005 0.2392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6573 -0.7969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5887 1.2634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2435 1.7572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3565 2.2271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6552 2.7313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5078 5.7298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1553 3.3656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9415 6.0623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7123 4.7279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5201 6.0424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3429 3.9264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 1 36 1 0 0 0 0 2 32 1 0 0 0 0 2 41 1 0 0 0 0 3 37 1 0 0 0 0 3 42 1 0 0 0 0 4 35 1 0 0 0 0 4 52 1 0 0 0 0 5 39 1 0 0 0 0 5 49 1 0 0 0 0 6 40 1 0 0 0 0 6 59 1 0 0 0 0 7 37 2 0 0 0 0 8 42 1 0 0 0 0 8 91 1 0 0 0 0 9 41 2 0 0 0 0 10 47 1 0 0 0 0 10 93 1 0 0 0 0 11 48 1 0 0 0 0 11 94 1 0 0 0 0 12 50 1 0 0 0 0 12 95 1 0 0 0 0 13 53 1 0 0 0 0 13 98 1 0 0 0 0 14 54 1 0 0 0 0 14 66 1 0 0 0 0 15 52 2 0 0 0 0 16 55 1 0 0 0 0 16 99 1 0 0 0 0 17 53 2 0 0 0 0 18 58 1 0 0 0 0 18101 1 0 0 0 0 19 60 1 0 0 0 0 19102 1 0 0 0 0 20 59 2 0 0 0 0 21 64 1 0 0 0 0 21104 1 0 0 0 0 22 68 1 0 0 0 0 22106 1 0 0 0 0 23 66 2 0 0 0 0 24 72 1 0 0 0 0 24107 1 0 0 0 0 25 73 1 0 0 0 0 25108 1 0 0 0 0 26 75 1 0 0 0 0 26109 1 0 0 0 0 27 74 1 0 0 0 0 27110 1 0 0 0 0 28 77 1 0 0 0 0 28111 1 0 0 0 0 29 78 1 0 0 0 0 29112 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 30 79 1 0 0 0 0 31 34 1 0 0 0 0 31 37 1 0 0 0 0 32 35 1 0 0 0 0 32 80 1 0 0 0 0 33 36 2 0 0 0 0 33 39 1 0 0 0 0 34 38 2 0 0 0 0 34 41 1 0 0 0 0 35 40 1 0 0 0 0 35 81 1 0 0 0 0 36 44 1 0 0 0 0 38 42 1 0 0 0 0 38 45 1 0 0 0 0 39 43 2 0 0 0 0 40 47 1 0 0 0 0 40 82 1 0 0 0 0 42 53 1 0 0 0 0 43 46 1 0 0 0 0 43 48 1 0 0 0 0 44 48 2 0 0 0 0 44 83 1 0 0 0 0 45 51 1 0 0 0 0 45 55 2 0 0 0 0 46 50 1 0 0 0 0 46 84 1 0 0 0 0 46 85 1 0 0 0 0 47 54 1 0 0 0 0 47 86 1 0 0 0 0 49 50 1 0 0 0 0 49 56 1 0 0 0 0 49 87 1 0 0 0 0 50 88 1 0 0 0 0 51 52 1 0 0 0 0 51 57 2 0 0 0 0 54 89 1 0 0 0 0 54 90 1 0 0 0 0 55 58 1 0 0 0 0 56 61 2 0 0 0 0 56 62 1 0 0 0 0 57 60 1 0 0 0 0 57 92 1 0 0 0 0 58 60 2 0 0 0 0 59 63 1 0 0 0 0 61 64 1 0 0 0 0 61 96 1 0 0 0 0 62 65 2 0 0 0 0 62 97 1 0 0 0 0 63 67 1 0 0 0 0 63 71 2 0 0 0 0 64 68 2 0 0 0 0 65 68 1 0 0 0 0 65100 1 0 0 0 0 66 69 1 0 0 0 0 67 70 1 0 0 0 0 67 72 2 0 0 0 0 69 70 1 0 0 0 0 69 76 2 0 0 0 0 70 75 2 0 0 0 0 71 73 1 0 0 0 0 71103 1 0 0 0 0 72 74 1 0 0 0 0 73 74 2 0 0 0 0 75 77 1 0 0 0 0 76 78 1 0 0 0 0 76105 1 0 0 0 0 77 78 2 0 0 0 0 M END > 16131433 > 1 > 2470 > 29 > 16 > 3 > AAADcfB8PgAAAAAAAAAAAAAAAAAAASAAAAA0aMGDAAAAAEiRVAAAGgAACAAADVSgmAIwDoAABgCIAiDSCAICCAAkIAAIiAFGiMgdNzaGNR6CeSGl4BUPuYfL7PzOoAADCAAYQABAAAYQADCAAAAAAAAAAA== > 20-(3,4-dihydroxyphenyl)-14-(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)-4,7,8,9,21,24-hexahydroxy-2,12,29-trioxo-3,13,19,27,30-pentaoxaheptacyclo[13.12.3.01,16.05,28.06,11.017,26.018,23]triaconta-5(28),6,8,10,17(26),18(23),24-heptaene-4-carboxylic acid > 20-(3,4-dihydroxyphenyl)-14-(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)-4,7,8,9,21,24-hexahydroxy-2,12,29-trioxo-3,13,19,27,30-pentaoxaheptacyclo[13.12.3.01,16.05,28.06,11.017,26.018,23]triaconta-5(28),6,8,10,17(26),18(23),24-heptaene-4-carboxylic acid > 20-(3,4-dihydroxyphenyl)-14-(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)-4,7,8,9,21,24-hexahydroxy-2,12,29-trioxo-3,13,19,27,30-pentaoxaheptacyclo[13.12.3.01,16.05,28.06,11.017,26.018,23]triaconta-5(28),6,8,10,17(26),18(23),24-heptaene-4-carboxylic acid > 20-(3,4-dihydroxyphenyl)-14-(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)-4,7,8,9,21,24-hexahydroxy-2,12,29-trioxo-3,13,19,27,30-pentaoxaheptacyclo[13.12.3.01,16.05,28.06,11.017,26.018,23]triaconta-5(28),6,8,10,17(26),18(23),24-heptaene-4-carboxylic acid > 20-[3,4-bis(oxidanyl)phenyl]-14-[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]-4,7,8,9,21,24-hexakis(oxidanyl)-2,12,29-tris(oxidanylidene)-3,13,19,27,30-pentaoxaheptacyclo[13.12.3.01,16.05,28.06,11.017,26.018,23]triaconta-5(28),6,8,10,17(26),18(23),24-heptaene-4-carboxylic acid > 20-(3,4-dihydroxyphenyl)-14-(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)-4,7,8,9,21,24-hexahydroxy-2,12,29-triketo-3,13,19,27,30-pentaoxaheptacyclo[13.12.3.01,16.05,28.06,11.017,26.018,23]triaconta-5(28),6,8,10,17(26),18(23),24-heptaene-4-carboxylic acid > InChI=1S/C49H34O29/c50-15-2-1-10(3-17(15)52)37-21(56)4-11-16(51)8-23-27(38(11)73-37)29-40-41(39-22(57)9-72-42(64)12-5-18(53)31(58)34(61)24(12)25-13(43(65)74-39)6-19(54)32(59)35(25)62)76-44(66)14-7-20(55)33(60)36(63)26(14)28-30(45(67)75-40)48(29,77-23)47(70)78-49(28,71)46(68)69/h1-3,5-8,21-22,29,37,39-41,50-63,71H,4,9H2,(H,68,69) > MMIYRWRTSJNIBU-UHFFFAOYSA-N > 0.1 > 1086.11857504 > C49H34O29 > 1086.8 > C1C(C(OC2=C1C(=CC3=C2C4C5C(OC(=O)C6=CC(=C(C(=C6C7=C(C4(O3)C(=O)OC7(C(=O)O)O)C(=O)O5)O)O)O)C8C(COC(=O)C9=CC(=C(C(=C9C1=C(C(=C(C=C1C(=O)O8)O)O)O)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O > C1C(C(OC2=C1C(=CC3=C2C4C5C(OC(=O)C6=CC(=C(C(=C6C7=C(C4(O3)C(=O)OC7(C(=O)O)O)C(=O)O5)O)O)O)C8C(COC(=O)C9=CC(=C(C(=C9C1=C(C(=C(C=C1C(=O)O8)O)O)O)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O > 491 > 1086.11857504 > 0 > 78 > 0 > 9 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 47 10 3 50 12 3 32 2 3 31 30 3 30 33 3 33 36 8 33 39 8 36 44 8 39 43 8 35 4 3 43 48 8 44 48 8 45 51 8 45 55 8 49 56 3 51 57 8 55 58 8 56 61 8 56 62 8 57 60 8 58 60 8 40 6 3 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