Mol:FL3FAAGM0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -1.8518 1.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8518 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1509 0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4497 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4497 1.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1509 1.7633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2514 0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9524 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9524 1.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2514 1.7633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2514 -0.4869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6532 1.7632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3677 1.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0823 1.7632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0823 2.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3677 3.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6532 2.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1509 -0.6637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7967 3.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5688 1.8365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7812 -1.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2332 -2.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3641 -1.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4899 -2.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0379 -1.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9069 -1.7037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6205 -1.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7967 -2.0871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8605 -2.6897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4899 -3.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6519 0.1450 0.0000 C 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 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 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 12 1 0 0 0 0 3 18 1 0 0 0 0 15 19 1 0 0 0 0 20 1 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 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 24 30 1 0 0 0 0 25 18 1 0 0 0 0 8 31 1 0 0 0 0 S SKP 5 ID FL3FAAGM0001 FORMULA C22H22O9 EXACTMASS 430.126382302 AVERAGEMASS 430.40468000000004 SMILES c(c4)(ccc(c4)C(=C(C)1)Oc(c3)c(c(cc3O)OC(O2)C(C(C(O)C2C)O)O)C1=O)O M END