Mol:FL3FACDS0015
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 54 59 0 0 0 0 0 0 0 0999 V2000 -1.4993 -2.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4993 -2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7849 -3.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0704 -2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0704 -2.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7849 -1.6614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6441 -3.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3585 -2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3585 -2.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6441 -1.6614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6441 -3.9546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2135 -1.6615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7849 -4.1360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1522 -1.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9051 -2.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6579 -1.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6579 -0.7657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9051 -0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1522 -0.7657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4104 -0.3313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8457 -2.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3690 -3.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6825 -3.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0201 -3.2596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5014 -2.7783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1020 -3.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4104 -3.2306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0303 -3.5338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1374 -3.5815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2329 3.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4551 2.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7851 2.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7939 1.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3890 1.8197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9972 2.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8548 4.1360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4551 3.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2005 1.2218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3192 1.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1575 0.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8440 0.7642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5064 0.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 1.2527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4245 0.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8308 0.8311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4629 0.4972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5772 0.3409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1080 0.5412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1609 1.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8626 1.2470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4760 3.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3936 2.5109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5800 -2.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5566 -2.8913 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 1 12 1 0 0 0 0 3 13 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 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 14 9 1 0 0 0 0 17 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 2 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 35 1 0 0 0 0 35 30 1 0 0 0 0 30 36 1 0 0 0 0 31 37 1 0 0 0 0 32 38 1 0 0 0 0 39 40 1 1 0 0 0 40 41 1 1 0 0 0 42 41 1 1 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 39 1 0 0 0 0 39 45 1 0 0 0 0 40 46 1 0 0 0 0 41 47 1 0 0 0 0 42 38 1 0 0 0 0 18 48 1 0 0 0 0 48 33 1 0 0 0 0 49 50 1 0 0 0 0 44 49 1 0 0 0 0 51 52 1 0 0 0 0 35 51 1 0 0 0 0 53 54 1 0 0 0 0 26 53 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 49 50 M SBL 1 1 55 M SMT 1 ^CH2OH M SBV 1 55 0.5854 -0.5854 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 51 52 M SBL 2 1 57 M SMT 2 CH2OH M SBV 2 57 -0.4788 -0.4788 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 53 54 M SBL 3 1 59 M SMT 3 ^CH2OH M SBV 3 59 0.4781 -0.4781 S SKP 5 ID FL3FACDS0015 FORMULA C33H40O21 EXACTMASS 772.206208342 AVERAGEMASS 772.6581 SMILES C(O)(C6O)C(OC(C6O)OC(C(O)5)C(OC(CO)C(O)5)Oc(c4O)cc(cc4)C(O3)=CC(c(c31)c(c(C(C(O)2)OC(CO)C(O)C(O)2)c(c1)O)O)=O)CO M END