Mol:FL3FACGS0076
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 0.5010 0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5010 -0.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2154 -1.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9298 -0.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9298 0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2154 0.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6443 -1.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3588 -0.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3588 0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6443 0.6352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0732 0.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7877 0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5021 0.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5021 1.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7877 1.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0732 1.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6443 -1.8397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2186 0.5697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2154 -1.8726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 1.8197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2079 0.2277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9829 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2884 -0.5731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6749 -0.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8658 0.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5602 0.5872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1298 0.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6115 0.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4910 0.5382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9590 0.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0798 -0.7653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 -0.3218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0854 1.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8826 0.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1611 0.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7447 -0.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9474 -0.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6689 0.3830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2361 -0.6615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1098 0.4669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2079 1.4341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6342 1.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 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 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 7 17 2 0 0 0 0 18 1 1 0 0 0 0 3 19 1 0 0 0 0 14 20 1 0 0 0 0 13 21 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 27 1 0 0 0 0 27 22 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 1 0 0 0 36 35 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 36 39 1 0 0 0 0 35 40 1 0 0 0 0 34 41 1 0 0 0 0 33 42 1 0 0 0 0 37 29 1 0 0 0 0 18 25 1 0 0 0 0 S SKP 5 ID FL3FACGS0076 FORMULA C27H30O15 EXACTMASS 594.15847029 AVERAGEMASS 594.5181 SMILES O(C1C)C(OCC(O2)C(O)C(C(O)C(Oc(c5)cc(O)c(c54)C(=O)C=C(O4)c(c3)cc(c(c3)O)O)2)O)C(C(O)C(O)1)O M END
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