Mol:FL63ACGS0008
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 -3.0058 1.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0058 0.3613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2799 -0.0577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5540 0.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5540 1.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2799 1.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8283 -0.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1024 0.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1024 1.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8283 1.6186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6234 1.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3554 1.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0872 1.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0873 2.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3554 2.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6235 2.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7878 2.8682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7316 1.6186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6234 -0.0577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3553 3.7303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2800 -0.8938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2473 -2.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9902 -3.2449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6661 -2.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4182 -2.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7316 -2.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9993 -2.6156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4693 -2.7265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6366 0.0483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0608 -0.4347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8106 -0.4879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4235 -0.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9993 -0.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2495 -0.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0982 0.2590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8986 -0.0431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1209 -0.9657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5535 -1.5221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3830 -3.1717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3251 -3.6122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4839 -3.7303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4595 -0.7607 0.0000 O 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 6 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 17 14 1 0 0 0 0 1 18 1 0 0 0 0 8 19 1 1 0 0 0 15 20 1 0 0 0 0 3 21 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 29 30 1 0 0 0 0 30 31 1 1 0 0 0 31 32 1 1 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 29 1 0 0 0 0 29 35 1 0 0 0 0 34 36 1 0 0 0 0 32 37 1 0 0 0 0 26 38 1 0 0 0 0 37 38 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 30 19 1 0 0 0 0 25 41 1 0 0 0 0 33 42 1 0 0 0 0 S SKP 5 ID FL63ACGS0008 FORMULA C27H34O15 EXACTMASS 598.189770418 AVERAGEMASS 598.5498600000001 SMILES O(C1C)C(OCC(O2)C(O)C(C(O)C2OC(C(c(c5)ccc(c(O)5)O)3)Cc(c4O)c(cc(O)c4)O3)O)C(C(O)C(O)1)O M END
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