131751765 CDK 1011211437 79 86 0 0 0 0 0 0 0 0999 V2000 10.2236 1.0035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7947 2.6535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5092 -0.2340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2236 2.6535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7947 0.1785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3658 1.0035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6526 0.1785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6526 -1.4715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2236 -2.2965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6513 2.2410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7947 -2.2965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6200 4.6969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0488 4.7135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5913 7.1717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1720 6.3303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9381 4.7160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0297 6.3633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4719 5.0846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9369 3.4785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3658 -2.2965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4992 7.2482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7960 3.8910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7960 2.2410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 2.6535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9369 -6.4215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 1.0035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3658 -7.2465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5092 1.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7947 1.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0802 1.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2236 0.1785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9381 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5092 2.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0802 2.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9381 -1.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2236 -1.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5092 -1.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3658 2.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7947 -1.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2236 3.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6008 6.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8912 5.9261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3201 5.9426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9007 5.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3295 5.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5092 3.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9381 3.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5092 4.7160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1911 4.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7584 5.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2236 5.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9369 2.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0802 -2.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6526 3.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7518 5.9935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2369 5.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4960 6.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2223 2.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3671 3.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6526 2.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0802 -3.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0815 3.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3671 2.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 2.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0815 2.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3658 -3.9465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 2.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3658 -4.7715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 2.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 1.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7960 4.7160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6513 -5.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0802 -5.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 2.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 1.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6513 -6.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0802 -6.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 1.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3658 -6.4215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 31 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 31 1 0 0 0 0 3 37 1 0 0 0 0 4 33 1 0 0 0 0 4 40 1 0 0 0 0 5 29 1 0 0 0 0 6 30 1 0 0 0 0 7 32 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 10 38 1 0 0 0 0 10 52 1 0 0 0 0 11 39 1 0 0 0 0 11 53 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 45 1 0 0 0 0 13 50 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 16 47 1 0 0 0 0 16 51 2 0 0 0 0 17 43 1 0 0 0 0 18 49 1 0 0 0 0 19 52 2 0 0 0 0 20 53 2 0 0 0 0 21 57 1 0 0 0 0 22 62 1 0 0 0 0 22 71 1 0 0 0 0 23 65 1 0 0 0 0 24 74 1 0 0 0 0 25 76 1 0 0 0 0 26 78 1 0 0 0 0 27 79 1 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 30 34 1 0 0 0 0 31 32 1 0 0 0 0 32 35 1 0 0 0 0 34 38 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 39 1 0 0 0 0 40 46 1 0 0 0 0 40 47 2 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 42 44 1 0 0 0 0 43 45 1 0 0 0 0 44 49 1 0 0 0 0 46 48 2 0 0 0 0 47 54 1 0 0 0 0 48 50 1 0 0 0 0 48 51 1 0 0 0 0 50 55 2 0 0 0 0 51 56 1 0 0 0 0 52 58 1 0 0 0 0 53 61 1 0 0 0 0 54 59 2 0 0 0 0 54 60 1 0 0 0 0 55 57 1 0 0 0 0 56 57 2 0 0 0 0 58 64 2 0 0 0 0 59 62 1 0 0 0 0 60 63 2 0 0 0 0 61 66 2 0 0 0 0 62 65 2 0 0 0 0 63 65 1 0 0 0 0 64 67 1 0 0 0 0 66 68 1 0 0 0 0 67 69 2 0 0 0 0 67 70 1 0 0 0 0 68 72 2 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 2 0 0 0 0 72 76 1 0 0 0 0 73 77 2 0 0 0 0 74 78 2 0 0 0 0 75 78 1 0 0 0 0 76 79 2 0 0 0 0 77 79 1 0 0 0 0 M CHG 1 16 1 M END > CHEBI:180823 > YGM 4B > 2 > [6-[6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-4,5-dihydroxy-2-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate > C52H55O27 > 1111.984 > 1111.29252 > 1 > O(C1C(O)C(O)C(OC1OC=2C=C3C(OC4OC(C(O)C(O)C4O)CO)=CC(O)=CC3=[O+]C2C5=CC(OC)=C(O)C=C5)COC(=O)/C=C/C6=CC(O)=C(O)C=C6)C7OC(C(O)C(O)C7O)COC(=O)/C=C/C8=CC(O)=C(O)C=C8 > InChI=1S/C52H54O27/c1-70-33-14-23(6-9-28(33)57)48-34(17-25-31(73-48)15-24(54)16-32(25)74-50-46(68)43(65)40(62)35(18-53)76-50)75-52-49(45(67)42(64)37(78-52)20-72-39(61)11-5-22-3-8-27(56)30(59)13-22)79-51-47(69)44(66)41(63)36(77-51)19-71-38(60)10-4-21-2-7-26(55)29(58)12-21/h2-17,35-37,40-47,49-53,62-69H,18-20H2,1H3,(H5-,54,55,56,57,58,59,60,61)/p+1 > JKWOUUZKKXXXBN-UHFFFAOYSA-O $$$$