Mol:FL3FAGGS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 0.5168 2.7011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5168 1.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2312 1.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9457 1.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9457 2.7011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2312 3.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1977 1.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9122 1.8761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6267 1.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6267 0.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9122 0.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1977 0.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3411 1.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0556 1.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0556 0.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3411 0.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9122 -0.4922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7701 1.8761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3411 -0.4598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4776 3.0082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2312 3.7683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5587 1.5221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9519 -0.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -0.8457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 -0.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2905 0.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1085 1.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6798 0.3472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7701 -0.2053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6577 -1.0217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5653 -1.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4914 -0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8613 -2.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0435 -3.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4720 -2.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2000 -2.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0180 -1.6715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5893 -2.3765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6604 -2.9512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5466 -3.7248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5780 -3.7683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4010 -3.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 16 19 1 0 0 0 0 5 20 1 0 0 0 0 6 21 1 0 0 0 0 4 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 26 29 1 0 0 0 0 25 30 1 0 0 0 0 24 31 1 0 0 0 0 23 32 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 1 0 0 0 36 35 1 1 0 0 0 37 36 1 1 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 36 39 1 0 0 0 0 35 40 1 0 0 0 0 34 41 1 0 0 0 0 33 42 1 0 0 0 0 37 31 1 0 0 0 0 27 22 1 0 0 0 0 S SKP 5 ID FL3FAGGS0007 FORMULA C27H30O15 EXACTMASS 594.15847029 AVERAGEMASS 594.5181 SMILES Oc(c1)cc(O2)c(C(=O)C=C(c(c3)cc(c(c(OC(C5O)OC(C(C5O)OC(O4)C(O)C(C(C(C)4)O)O)C)3)O)O)2)c1O M END