Mol:FL3FFCGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -0.1381 -0.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1381 -1.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5628 -1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2638 -1.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2638 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5628 0.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9647 -1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6656 -1.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6656 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9647 0.1256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9647 -2.1243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3663 0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0806 -0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7951 0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7951 0.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0806 1.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3663 0.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0806 2.3010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5628 -2.3010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8419 0.2494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7605 1.1067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0032 0.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2020 -0.7442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0482 -0.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9348 -0.2834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7439 0.5257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7534 -0.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7605 0.0429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0991 -0.7445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1369 -0.7068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5628 0.9549 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 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 16 18 1 0 0 0 0 3 19 1 0 0 0 0 1 20 1 0 0 0 0 21 15 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 27 1 0 0 0 0 27 22 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 20 1 0 0 0 0 6 31 1 0 0 0 0 S SKP 5 ID FL3FFCGS0001 FORMULA C20H18O11 EXACTMASS 434.084911418 AVERAGEMASS 434.35032 SMILES C(O1)(Oc(c(O)2)cc(O)c(C(=O)4)c2OC(=C4)c(c3)cc(c(O)c3)O)C(O)C(C(O)C1)O M END