Mol:FL3FA8GS0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -0.1406 0.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1406 -0.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5607 -1.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2619 -0.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2619 0.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5607 0.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9631 -1.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6643 -0.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6643 0.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9631 0.4671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9645 -1.8881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3653 0.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0801 0.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7948 0.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7948 1.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0801 1.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3653 1.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8416 0.4670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9831 0.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3330 -0.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3970 0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4940 0.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1502 0.7609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9691 0.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7784 0.2328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2211 -0.1963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5295 -0.4358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6508 1.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5621 -1.9547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7549 1.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7948 1.0548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2352 1.9547 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 1 18 1 0 0 0 0 19 20 1 1 0 0 0 20 21 1 1 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 18 1 0 0 0 0 17 28 1 0 0 0 0 3 29 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 24 30 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 30 31 32 M SBL 1 1 35 M SMT 1 ^COOH M SBV 1 35 0.7858 -0.7263 S SKP 5 ID FL3FA8GS0001 FORMULA C21H18O11 EXACTMASS 446.084911418 AVERAGEMASS 446.36102 SMILES c(C(=C4)Oc(c3C(=O)4)cc(cc(O)3)OC(C(O)2)OC(C(O)=O)C(O)C2O)(c(O)1)cccc1 M END
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