Mol:FL3FECGS0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -0.7622 -0.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7622 -0.8795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0612 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6399 -0.8795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6399 -0.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0612 0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3410 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0419 -0.8795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0419 -0.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3410 0.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3410 -2.0391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7427 0.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4572 -0.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1718 0.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1718 1.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4572 1.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7427 1.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4572 2.2970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9190 1.5910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0612 -2.0921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4617 0.3338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4617 -1.2835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3501 -1.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7891 -2.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9813 -1.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2018 -1.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7682 -1.2732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4749 -1.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9190 -1.7066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4208 -2.2054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2039 -2.2970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0103 -1.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9079 -1.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5619 -0.3340 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 16 18 1 0 0 0 0 19 15 1 0 0 0 0 3 20 1 0 0 0 0 1 21 1 0 0 0 0 2 22 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 31 1 0 0 0 0 26 22 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 28 32 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 32 33 34 M SBL 1 1 37 M SMT 1 ^COOH M SBV 1 37 0.5354 -0.5354 S SKP 5 ID FL3FECGS0006 FORMULA C21H18O13 EXACTMASS 478.07474066199995 AVERAGEMASS 478.35982 SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c(O)1)c(O)cc(O2)c(C(=O)C=C2c(c3)cc(c(O)c3)O)1)O)O M END