Mol:FL1CDAGS0003
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 52 56 0 0 0 0 0 0 0 0999 V2000 -3.4209 1.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4209 0.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7064 0.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9919 0.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9919 1.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7064 1.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2775 0.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 0.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 1.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1515 1.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8659 1.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5804 1.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5804 2.6455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8659 3.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1515 2.6455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2775 -0.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1038 0.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8668 0.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7649 1.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0946 2.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3316 2.0342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4334 1.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 0.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3664 0.0037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7310 0.2662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3555 1.9065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7064 -0.5407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1076 1.8045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8043 0.4234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5305 2.9996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3630 1.7711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3630 2.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7226 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1707 -1.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1707 -1.9222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3548 -1.8702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1869 -0.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7226 -1.1476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8055 -1.1476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3548 -1.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7647 -0.8889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6927 -0.4834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9974 -1.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3716 -2.2782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1735 -1.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7616 -2.3435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0623 -2.3435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4748 -1.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2998 -1.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7123 -2.3435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2998 -3.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4748 -3.0580 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 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 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 10 1 0 0 0 0 7 16 2 0 0 0 0 17 18 1 1 0 0 0 18 19 1 1 0 0 0 20 19 1 1 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 17 1 0 0 0 0 22 23 1 0 0 0 0 17 24 1 0 0 0 0 18 25 1 0 0 0 0 19 26 1 0 0 0 0 3 27 1 0 0 0 0 1 28 1 0 0 0 0 29 23 1 0 0 0 0 13 30 1 0 0 0 0 5 31 1 0 0 0 0 31 32 1 0 0 0 0 28 33 1 0 0 0 0 20 30 1 0 0 0 0 40 34 1 1 0 0 0 39 34 1 1 0 0 0 38 40 1 1 0 0 0 34 35 1 0 0 0 0 40 36 1 0 0 0 0 41 38 1 0 0 0 0 37 42 1 0 0 0 0 39 41 1 0 0 0 0 34 37 1 0 0 0 0 26 38 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 52 47 1 0 0 0 0 42 43 1 0 0 0 0 S SKP 5 ID FL1CDAGS0003 FORMULA C37H40O15 EXACTMASS 724.23672061 AVERAGEMASS 724.7044999999999 SMILES C(COC(=O)C=Cc(c5)cccc5)(C4)(C(O)C(O4)OC(C1Oc(c2)ccc(C=CC(c(c3O)c(OC)cc(OC)c3)=O)c2)C(O)C(O)C(CO)O1)O M END
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