Mol:FL3FACGS0029
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 41 45 0 0 0 0 0 0 0 0999 V2000 -0.1313 -1.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1313 -2.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4841 -2.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0996 -2.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0996 -1.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4841 -1.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7151 -2.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3305 -2.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3305 -1.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7151 -1.0581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7151 -3.0336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9458 -1.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5730 -1.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2004 -1.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2004 -0.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5730 0.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9458 -0.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8401 -1.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4841 -3.1886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0113 0.1344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3662 -0.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6626 -1.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6495 -1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6719 -1.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3822 -0.6872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4172 -1.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0113 -1.2460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4166 -1.8022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9211 -1.8288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3633 0.5674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2137 3.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0546 1.8574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0496 1.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7482 0.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7483 1.7405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7538 2.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5530 3.1886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5852 2.3269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2949 0.5038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0786 -0.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1038 -0.9602 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 18 1 1 0 0 0 0 3 19 1 0 0 0 0 15 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 18 1 0 0 0 0 16 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 30 1 0 0 0 0 40 41 1 0 0 0 0 26 40 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 40 41 M SBL 1 1 45 M SMT 1 ^CH2OH M SBV 1 45 0.6614 -0.6614 S SKP 5 ID FL3FACGS0029 FORMULA C26H28O15 EXACTMASS 580.1428202259999 AVERAGEMASS 580.49152 SMILES c(c2)(C(=C5)Oc(c3C(=O)5)cc(OC(C(O)4)OC(CO)C(O)C4O)cc3O)cc(c(O)c2)OC(O1)C(O)C(O)C(O)C1 M END
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