Mol:FL2FA9GS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 32 0 0 0 0 0 0 0 0999 V2000 -1.1585 -0.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1585 -1.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4440 -1.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2705 -1.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2705 -0.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4440 0.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9851 -1.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6997 -1.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6997 -0.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9851 0.1908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4139 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1421 -0.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8703 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8703 1.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1421 1.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4139 1.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9851 -2.1578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8727 0.1907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4440 -2.2841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3651 0.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6905 -0.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9046 0.7106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6905 1.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3651 1.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1511 1.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9348 2.2841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6905 1.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7580 1.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8703 0.3606 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 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 11 1 0 0 0 0 7 17 2 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 21 20 1 1 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 1 0 0 0 25 20 1 1 0 0 0 24 26 1 0 0 0 0 23 27 1 0 0 0 0 25 28 1 0 0 0 0 20 29 1 0 0 0 0 21 18 1 0 0 0 0 S SKP 5 ID FL2FA9GS0003 FORMULA C21H22O8 EXACTMASS 402.13146768 AVERAGEMASS 402.39458 SMILES C(C3)(c(c4)cccc4)Oc(c2C(=O)3)cc(cc(O)2)OC(O1)C(O)C(O)C(O)C(C)1 M END