Mol:FL7AAGGA0013
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 97105 0 0 0 0 0 0 0 0999 V2000 -1.5956 2.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5956 1.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8811 1.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1666 1.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1666 2.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8811 2.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5478 1.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2623 1.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2623 2.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5478 2.6651 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 2.0388 2.7009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7533 2.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4678 2.7009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4678 3.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7533 3.9384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0388 3.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1080 3.8955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1208 0.9320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1755 2.5874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8811 0.2525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1127 2.3286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7533 4.6696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7578 -1.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -1.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5301 -0.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3161 -0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5762 -0.2684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -0.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3820 -1.0830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8060 -1.7138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7578 -0.6909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5980 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8978 0.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0768 0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7795 1.2146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1315 1.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9525 1.8089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2499 1.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0218 0.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0139 -0.1479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4655 -0.0373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0294 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5535 0.2758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2679 -0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9805 0.2790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2698 -0.9584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5572 -1.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5590 -2.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2744 -2.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2763 -3.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5627 -3.8457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8473 -3.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8455 -2.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5646 -4.6696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8262 -0.8516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0900 -3.9014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7611 -3.3576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0635 -3.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3132 -2.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9288 -2.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 -2.0214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1456 -2.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6805 -2.8155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0568 -3.2030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9242 -3.9663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3716 -3.8257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1463 -2.5326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5778 -3.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1856 -4.0128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4013 -3.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7935 -2.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6170 -2.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0491 -3.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8737 -3.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2664 -2.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8344 -1.7699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0097 -1.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0900 -2.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3052 -3.9002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9213 -0.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7347 -0.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8154 0.7735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3034 1.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4899 1.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4091 0.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9082 0.4845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1729 -0.7339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4644 -0.4298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4971 0.9562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 1.0544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5905 -0.0658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2522 -1.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0526 -1.6142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8298 -2.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2322 -3.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0946 -3.0431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8097 -3.7516 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 55 92 1 0 0 0 0 92 93 2 0 0 0 0 92 94 1 0 0 0 0 94 95 1 0 0 0 0 95 96 2 0 0 0 0 95 97 1 0 0 0 0 M CHG 1 10 1 S SKP 5 ID FL7AAGGA0013 FORMULA C60H63O37 EXACTMASS 1375.30481803 AVERAGEMASS 1376.12002 SMILES O=C(OCC(C3O)OC(Oc(c7c(c8)cc(OC(C(O)9)OC(C(=O)O)C(O)C9O)c(O)c8O)cc(c4O)c([o+1]7)cc(OC(O5)C(C(C(C5COC(=O)C=Cc(c6)cc(c(c6)O)O)O)O)O)c4)C(C3O)OC(O2)C(C(O)C(O)C(CO)2)OC(=O)C=Cc(c1)ccc(O)c1O)CC(=O)O M END
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