Mol:FL3FAACS0045
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 38 42 0 0 0 0 0 0 0 0999 V2000 -1.6427 -0.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6427 -1.5248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9282 -1.9373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2138 -1.5248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2138 -0.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9282 -0.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5007 -1.9373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2152 -1.5248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2152 -0.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5007 -0.2873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5007 -2.5805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3569 -0.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9282 -2.7620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0089 -0.2609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7617 -0.6957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5146 -0.2609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5146 0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7617 1.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0089 0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2671 1.0428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 2.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4027 1.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0727 1.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0640 0.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4688 0.8629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8607 1.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0535 2.3713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4027 2.7620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5266 0.6329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0006 -1.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5240 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8375 -1.7955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1750 -1.7883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6564 -1.3069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2569 -1.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0006 -0.7884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2671 -2.0986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3548 -2.2782 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 6 24 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 33 2 1 0 0 0 0 S SKP 5 ID FL3FAACS0045 FORMULA C25H26O13 EXACTMASS 534.137340918 AVERAGEMASS 534.46614 SMILES C(O1)C(C(C(C1c(c4O)c(O2)c(c(c4C(C(O)5)OCC(C5O)O)O)C(C=C(c(c3)ccc(c3)O)2)=O)O)O)O M END