Mol:FL5FACGL0022
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 54 59 0 0 0 0 0 0 0 0999 V2000 -3.1069 1.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1069 0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4057 -0.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7044 0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7044 1.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4057 1.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0032 -0.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 1.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0032 1.5171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0032 -0.7336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3990 1.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1137 1.1043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8282 1.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8282 2.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1137 2.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3990 2.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8079 1.5170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4850 -0.1685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4057 -0.9117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1472 -1.5504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7241 -2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5379 -2.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3566 -2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7798 -1.5504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 -1.7828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4246 -1.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5122 0.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0891 -0.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9029 -0.1608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7216 -0.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1449 0.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3309 0.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8516 0.2307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8944 0.7479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8079 0.1715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4163 -0.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6056 -0.8605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0947 -2.0815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9029 -2.7256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3579 -2.9781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6274 2.8035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1137 3.5798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8280 -2.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2914 -3.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4814 -3.1032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2270 -3.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6852 -2.5532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0091 -2.9100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4651 -2.8589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0648 -3.3015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2554 -3.5798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5719 -2.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5764 -2.0370 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 1 18 1 0 0 0 0 8 19 1 0 0 0 0 3 20 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 28 29 1 0 0 0 0 29 30 1 1 0 0 0 30 31 1 1 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 28 1 0 0 0 0 28 34 1 0 0 0 0 33 35 1 0 0 0 0 32 36 1 0 0 0 0 31 37 1 0 0 0 0 25 38 1 0 0 0 0 37 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 29 19 1 0 0 0 0 42 15 1 0 0 0 0 16 43 1 0 0 0 0 44 45 1 1 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 44 1 0 0 0 0 44 50 1 0 0 0 0 45 51 1 0 0 0 0 46 52 1 0 0 0 0 47 40 1 0 0 0 0 53 54 1 0 0 0 0 49 53 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 53 54 M SBL 1 1 59 M SMT 1 ^CH2OH M SBV 1 59 0.5810 -0.6039 S SKP 5 ID FL5FACGL0022 FORMULA C33H40O21 EXACTMASS 772.206208342 AVERAGEMASS 772.6581 SMILES c(c21)(OC(c(c6)ccc(O)c6O)=C(OC(O3)C(O)C(C(C3COC(O4)C(C(OC(C5O)OC(CO)C(C5O)O)C(C(C)4)O)O)O)O)C2=O)cc(cc1O)O M END
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