Mol:FL3FAECS0004
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 -2.3308 -0.9677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3308 -1.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6164 -2.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -1.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -0.9677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6164 -0.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1876 -2.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5269 -1.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5269 -0.9677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1876 -0.5554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1876 -2.8484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0450 -0.5555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5903 2.2473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5227 1.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5028 1.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7745 0.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0118 0.6326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1261 1.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6217 3.0298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2464 2.6482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3933 0.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6164 -3.0298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -0.4229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1528 -0.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9057 -0.4229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9057 0.4464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1528 0.8809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 0.4464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7728 -0.7607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9041 0.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2296 0.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4436 0.9588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2296 1.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9041 2.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6902 1.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5962 2.6957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2283 2.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2955 1.7821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5757 0.5691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 1.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6581 0.8807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5757 0.3509 0.0000 C 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 13 14 1 1 0 0 0 14 15 1 1 0 0 0 16 15 1 1 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 13 1 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 6 16 1 0 0 0 0 3 22 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 23 1 0 0 0 0 9 23 1 0 0 0 0 25 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 21 1 0 0 0 0 40 41 1 0 0 0 0 18 40 1 0 0 0 0 42 43 1 0 0 0 0 26 42 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 -0.7701 -0.3840 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 42 43 M SBL 2 1 47 M SMT 2 OCH3 M SBV 2 47 -0.7524 -0.4343 S SKP 5 ID FL3FAECS0004 FORMULA C28H32O15 EXACTMASS 608.174120354 AVERAGEMASS 608.54468 SMILES OC(C4O)C(OC(O5)C(O)C(O)C(C(C)5)O)C(OC(CO)4)c(c12)c(cc(O)c1C(=O)C=C(c(c3)ccc(OC)c3O)O2)O M END
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