Mol:FL5FACGS0094
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 38 41 0 0 0 0 0 0 0 0999 V2000 1.8475 1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 1.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 2.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8475 2.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5619 2.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5619 1.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4185 1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2959 1.6646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0104 1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0104 0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2959 0.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4185 0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7249 1.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4394 1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4394 0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7249 0.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2959 -0.6462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1538 1.6646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0175 -0.0184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7249 -0.8104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1538 2.8313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8475 3.6279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8199 -2.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -2.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1313 -1.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2322 -0.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5902 -1.2706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9207 -2.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -2.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1253 -3.5007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3990 -3.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7281 -0.9744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2508 -2.0249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3601 -3.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6706 -3.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9900 -3.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2888 -3.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -3.0917 0.0000 O 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 12 19 1 0 0 0 0 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 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 28 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 25 32 1 0 0 0 0 29 33 2 0 0 0 0 29 38 1 0 0 0 0 26 19 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 S SKP 5 ID FL5FACGS0094 FORMULA C25H26O13 EXACTMASS 534.137340918 AVERAGEMASS 534.46614 SMILES c(c12)c(cc(O)c(C(C(OC(C(O)4)OC(C(O)C4O)C(=O)OCCCC)=C(c(c3)cc(c(c3)O)O)O2)=O)1)O M END