Mol:FL7AAGGA0012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 91 99 0 0 0 0 0 0 0 0999 V2000 -2.1110 2.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1110 1.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3965 1.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 1.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 2.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3965 2.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0324 1.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7469 1.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7469 2.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0324 2.9967 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 1.5234 3.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2378 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9523 3.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9523 3.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2378 4.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5234 3.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5925 4.2271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6054 1.2635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6909 2.9190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3965 0.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5972 2.6602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2378 5.0012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6339 -0.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -0.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6541 -0.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4401 0.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7002 0.3932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1520 -0.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2996 -0.4421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6635 -1.0473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6339 -0.0066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4264 0.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1103 0.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2957 0.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2078 1.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7141 2.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5288 2.0233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6167 1.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2692 1.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1103 -0.1566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6064 0.1353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4659 1.6928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6359 -0.2334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3623 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0628 -0.2302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3522 -1.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6396 -1.8812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6414 -2.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3568 -3.1159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3587 -3.9409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6451 -4.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9297 -3.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9279 -3.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6451 -5.0012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0962 0.2843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9402 -4.2767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7461 -2.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0419 -2.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4867 -1.7346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2236 -1.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4356 -1.1178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0093 -1.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6186 -1.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2498 -2.0440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2263 -2.6648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5869 -2.7929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3821 -1.7827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7223 -2.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3176 -3.1380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4636 -2.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7653 -1.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5890 -1.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0088 -2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8337 -2.4499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2390 -1.7313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8193 -1.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9943 -1.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0628 -1.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2529 -3.1592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6533 0.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 0.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5474 1.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0354 1.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2219 1.6521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1411 0.8308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6196 0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6382 -0.4862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2184 -0.3471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3189 1.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2935 1.3998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3419 0.3540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 14 17 1 0 0 0 0 8 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 13 21 1 0 0 0 0 15 22 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 25 29 1 0 0 0 0 24 30 1 0 0 0 0 23 31 1 0 0 0 0 28 32 1 0 0 0 0 26 18 1 0 0 0 0 33 34 1 1 0 0 0 34 35 1 1 0 0 0 36 35 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 38 39 1 0 0 0 0 33 40 1 0 0 0 0 34 41 1 0 0 0 0 35 42 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 44 46 1 0 0 0 0 46 47 2 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 53 48 1 0 0 0 0 51 54 1 0 0 0 0 43 39 1 0 0 0 0 36 19 1 0 0 0 0 55 32 1 0 0 0 0 50 56 1 0 0 0 0 57 58 1 1 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 57 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 57 65 1 0 0 0 0 58 66 1 0 0 0 0 59 67 1 0 0 0 0 60 29 1 0 0 0 0 68 69 2 0 0 0 0 68 70 1 0 0 0 0 70 71 2 0 0 0 0 71 72 1 0 0 0 0 72 73 2 0 0 0 0 73 74 1 0 0 0 0 74 75 2 0 0 0 0 75 76 1 0 0 0 0 76 77 2 0 0 0 0 77 72 1 0 0 0 0 75 78 1 0 0 0 0 74 79 1 0 0 0 0 67 68 1 0 0 0 0 80 81 1 1 0 0 0 81 82 1 1 0 0 0 83 82 1 1 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 85 80 1 0 0 0 0 85 86 1 0 0 0 0 80 87 1 0 0 0 0 81 88 1 0 0 0 0 82 89 1 0 0 0 0 86 90 2 0 0 0 0 86 91 1 0 0 0 0 83 21 1 0 0 0 0 M CHG 1 10 1 S SKP 5 ID FL7AAGGA0012 FORMULA C57H61O34 EXACTMASS 1289.3044241 AVERAGEMASS 1290.07384 SMILES c(c76)c(c([o+1]c(cc(OC(C(O)8)OC(COC(C=Cc(c9)cc(c(c9)O)O)=O)C(O)C(O)8)cc7O)6)c(c4)cc(O)c(O)c(OC(O5)C(C(O)C(C5C(=O)O)O)O)4)OC(C(OC(O3)C(C(C(C3CO)O)O)OC(C=Cc(c2)ccc(O)c2O)=O)1)OC(CO)C(O)C1O M END