Mol:FL5FACGL0051
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 64 70 0 0 0 0 0 0 0 0999 V2000 -1.1296 1.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1296 0.7415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4286 0.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2724 0.7415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2724 1.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4286 1.9556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9735 0.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6745 0.7415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6745 1.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9735 1.9556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9735 -0.2943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3752 1.9555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0896 1.5431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8041 1.9555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8041 2.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0896 3.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3752 2.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3993 0.2707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4286 -0.4724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6029 3.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8077 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0733 -0.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3063 -1.2803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0733 -2.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8077 -2.5248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5747 -1.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7219 -0.0822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1164 -2.2321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.0106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0896 4.0177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8304 1.9555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1295 -0.9973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0436 -0.9973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3866 -0.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1620 0.5296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2479 0.5298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9048 -0.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7456 0.3794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5421 -1.5130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1948 -1.7734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0545 -0.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1419 -3.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0562 -3.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3991 -3.0151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1744 -2.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7397 -2.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0828 -2.7593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7803 -1.4351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2279 -1.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9982 -2.6434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3875 -4.0177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5598 -3.1262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1475 -2.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5678 2.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0369 1.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2725 1.6694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5349 1.6773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0709 2.2135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7396 1.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1948 1.8504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7429 1.3091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5622 1.1568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3368 2.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4653 3.3797 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 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 8 18 1 0 0 0 0 3 19 1 0 0 0 0 20 15 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 22 18 1 0 0 0 0 16 30 1 0 0 0 0 1 31 1 0 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 1 0 0 0 37 32 1 1 0 0 0 37 38 1 0 0 0 0 32 39 1 0 0 0 0 33 40 1 0 0 0 0 34 41 1 0 0 0 0 36 27 1 0 0 0 0 43 42 1 1 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 1 0 0 0 47 42 1 1 0 0 0 46 48 1 0 0 0 0 45 49 1 0 0 0 0 47 50 1 0 0 0 0 42 51 1 0 0 0 0 43 52 1 0 0 0 0 24 53 1 0 0 0 0 53 52 1 0 0 0 0 54 55 1 1 0 0 0 55 56 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 54 1 0 0 0 0 54 60 1 0 0 0 0 55 61 1 0 0 0 0 56 62 1 0 0 0 0 57 31 1 0 0 0 0 63 64 1 0 0 0 0 59 63 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 63 64 M SBL 1 1 70 M SMT 1 ^ CH2OH M SBV 1 70 0.5972 -0.6090 S SKP 5 ID FL5FACGL0051 FORMULA C39H50O25 EXACTMASS 918.26411715 AVERAGEMASS 918.7993 SMILES c(c31)c(OC(C7O)OC(CO)C(C7O)O)cc(O)c(C(C(OC(O4)C(OC(C6O)OC(C)C(C(O)6)O)C(C(O)C(COC(O5)C(C(O)C(O)C5C)O)4)O)=C(O3)c(c2)cc(O)c(c2)O)=O)1 M END
</pre>