Mol:FL5FACGL0063
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 51 55 0 0 0 0 0 0 0 0999 V2000 -3.5433 1.3181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5433 0.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8288 0.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1143 0.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1143 1.3181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8288 1.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3998 0.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6852 0.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6852 1.3181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3998 1.7305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3998 -0.5628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 1.7304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7573 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4855 1.7304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4855 2.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7573 2.9918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 2.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2576 1.7304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8288 -0.7443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9731 2.8528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3919 -0.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9896 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7632 -0.4830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5416 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9440 -0.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1703 -0.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8004 0.0119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5891 0.3669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6362 -0.2229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2201 -0.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8768 -2.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5939 -2.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2772 -2.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0110 -2.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3328 -1.6715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6287 -2.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5884 -1.5354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7369 -2.8424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2215 -2.6387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5255 -1.4511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1165 -0.2728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7573 3.8325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0479 -1.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2932 -1.1982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1916 -2.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7369 -3.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3132 -3.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3719 -3.8325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 -3.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2576 -2.6950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6224 -3.6543 0.0000 C 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 1 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 24 30 1 0 0 0 0 31 32 1 1 0 0 0 32 33 1 1 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 31 1 0 0 0 0 31 37 1 0 0 0 0 32 38 1 0 0 0 0 33 39 1 0 0 0 0 34 40 1 0 0 0 0 40 30 1 0 0 0 0 22 41 1 0 0 0 0 41 8 1 0 0 0 0 16 42 1 0 0 0 0 37 43 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 38 46 1 0 0 0 0 46 47 1 0 0 0 0 46 48 2 0 0 0 0 39 49 1 0 0 0 0 49 50 2 0 0 0 0 49 51 1 0 0 0 0 S SKP 5 ID FL5FACGL0063 FORMULA C32H34O19 EXACTMASS 722.1694289059999 AVERAGEMASS 722.60096 SMILES c(c12)(OC(c(c5)ccc(O)c5O)=C(OC(C3O)OC(COC(O4)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C4)C(C3O)O)C2=O)cc(cc1O)O M END
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