Mol:057j FLIF
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 37 0 0 0 0 0 0 0 0999 V2000 -2.1617 0.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1617 -0.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4473 -0.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7328 -0.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7328 0.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4473 1.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0183 -0.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6961 -0.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6961 0.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0183 1.1022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4102 -0.5476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4102 -1.4296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1741 -1.8707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9380 -1.4296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9380 -0.5476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1741 -0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0183 -1.3724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8762 1.1022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7012 -1.8703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4473 1.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1615 2.3393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1741 -2.7518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4106 1.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1718 0.6551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8886 -3.1643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7012 -2.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6961 1.5147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6961 -0.9602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8762 1.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2887 2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7012 1.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1615 3.1643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7328 2.3394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 8 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 11 2 0 1 2 2 0 7 17 2 0 1 18 1 0 14 19 1 0 6 20 1 0 20 21 1 0 13 22 1 0 9 23 1 0 23 24 1 0 24 16 1 0 22 25 1 0 19 26 1 0 9 27 1 1 8 28 1 1 18 29 1 0 21 29 1 0 29 30 1 0 29 31 1 0 21 32 1 1 20 33 1 1 S SKP 5 ID 057j FLIF FORMULA C23H24O9 EXACTMASS 444.14203236599997 AVERAGEMASS 444.43126 SMILES COc(c5)c(OC)cc(c54)C(O)(C(=O)1)C([H])(CO4)Oc(c32)c(ccc(OC(C)(C)C(O)C(O)3)2)1 M END