Mol:FL1A1AGM0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -0.3218 -0.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3218 0.2918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0362 0.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7506 0.2918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7506 -0.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0362 -0.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4627 -0.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9477 -0.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4627 0.5468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4552 0.4606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5556 -0.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7716 -0.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1848 -0.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0113 -0.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4244 -0.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0113 0.5949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1848 0.5949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2494 -0.1207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6613 -1.5293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6879 -0.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8452 -0.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6549 -0.0014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2391 0.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9620 0.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1523 -0.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2494 0.6699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6901 0.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9273 -0.1721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9239 -1.0904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0362 1.5293 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 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 4 10 1 0 0 0 0 8 11 2 0 0 0 0 11 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 15 18 1 0 0 0 0 7 19 2 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 10 21 1 0 0 0 0 3 30 1 0 0 0 0 S SKP 5 ID FL1A1AGM0001 FORMULA C22H22O8 EXACTMASS 414.13146768 AVERAGEMASS 414.40528000000006 SMILES c(c31)(C)c(OC(O4)C(C(C(O)C4C)O)O)ccc(c(c(o3)=Cc(c2)ccc(c2)O)=O)1 M END