Mol:FL5FACGA0041
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 57 62 0 0 0 0 0 0 0 0999 V2000 -4.9877 1.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9877 0.8330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2289 0.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4702 0.8330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4702 1.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2289 2.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7114 0.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9527 0.8330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9527 1.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7114 2.1470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7114 -0.2882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9975 2.3156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2242 1.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5491 2.3156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5491 3.2085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2242 3.6551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9975 3.2085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2289 -0.4810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3767 3.6864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6908 2.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2242 0.2921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2453 0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6555 0.0547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1334 0.2804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9270 0.0547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3374 0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5485 0.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0715 0.7131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8695 1.0543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2732 1.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5056 0.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7404 -0.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7184 -1.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0675 -2.5356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2369 -1.8587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7406 -1.3698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3916 -0.7654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2221 -1.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5670 -2.6902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5194 -2.8564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3581 -2.5030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4194 -1.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5300 -3.6334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8132 -3.9746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1290 -4.0480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6320 -2.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0517 -3.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8722 -2.9949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5804 -3.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1608 -2.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3402 -2.8516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1303 -2.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1515 -2.4373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6908 -3.0395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2242 4.5477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3719 -3.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0808 -4.5477 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 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 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 3 18 1 0 0 0 0 19 15 1 0 0 0 0 4 3 1 0 0 0 0 1 20 1 0 0 0 0 21 8 1 0 0 0 0 22 23 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 22 1 0 0 0 0 22 28 1 0 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 25 31 1 0 0 0 0 23 21 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 1 0 0 0 35 36 1 1 0 0 0 37 36 1 1 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 37 32 1 0 0 0 0 35 39 1 0 0 0 0 34 40 1 0 0 0 0 33 41 1 0 0 0 0 36 42 1 0 0 0 0 31 32 1 0 0 0 0 40 43 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 1 0 0 0 48 49 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 46 1 0 0 0 0 46 52 1 0 0 0 0 51 53 1 0 0 0 0 50 54 1 0 0 0 0 47 39 1 0 0 0 0 16 55 1 0 0 0 0 56 57 1 0 0 0 0 49 56 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 56 57 M SBL 1 1 62 M SMT 1 CH2OH M SBV 1 62 -0.7915 0.0428 S SKP 5 ID FL5FACGA0041 FORMULA C35H42O22 EXACTMASS 814.216773028 AVERAGEMASS 814.69478 SMILES c(c6O)c(c5c(O)c6)OC(=C(C5=O)OC(C(O)4)OC(C(O)C4O)COC(C(O)2)OC(C(C2OC(O3)C(C(C(C3CO)O)O)O)OC(C)=O)C)c(c1)ccc(O)c1O M END
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