Mol:FL1CAAGS0007
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 41 44 0 0 0 0 0 0 0 0999 V2000 -1.0836 1.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0836 0.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3484 -0.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3869 0.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3869 1.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3484 1.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1219 -0.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8552 0.3985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5869 -0.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3172 0.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0317 -0.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7463 0.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7463 1.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0317 1.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3172 1.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1219 -0.8717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3484 -0.8737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8185 1.6727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1219 1.6727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4607 1.6352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8507 -0.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3912 -1.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7295 -1.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0397 -1.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5550 -0.8394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2309 -1.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5192 -1.2509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9233 -1.5678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1016 -1.6730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8593 -0.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1622 -1.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3833 -0.6283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1622 0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8593 0.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6382 -0.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4145 0.9975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1622 0.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1428 0.1185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4607 -1.0012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6499 -0.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7075 -0.3799 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 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 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 10 1 0 0 0 0 7 16 2 0 0 0 0 3 17 1 0 0 0 0 1 18 1 0 0 0 0 5 19 1 0 0 0 0 13 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 31 30 1 1 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 1 0 0 0 35 30 1 1 0 0 0 34 36 1 0 0 0 0 33 37 1 0 0 0 0 35 38 1 0 0 0 0 30 39 1 0 0 0 0 31 27 1 0 0 0 0 24 17 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 44 M SMT 1 ^CH2OH M SBV 1 44 0.4190 -0.4190 S SKP 5 ID FL1CAAGS0007 FORMULA C27H32O14 EXACTMASS 580.179205732 AVERAGEMASS 580.53458 SMILES Oc(c1)cc(c(C(C=Cc(c4)ccc(O)c4)=O)c1OC(C(O)2)OC(CO)C(OC(O3)C(O)C(O)C(O)C(C)3)C2O)O M END
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