Mol:FL4DACGS0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 44 48 0 0 0 0 0 0 0 0999 V2000 -4.1116 0.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5908 0.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0699 0.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0699 0.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5908 1.2508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1116 0.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5490 0.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0281 0.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0281 0.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5490 1.2508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5490 -0.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4484 1.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9197 0.9443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3910 1.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3910 1.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9197 2.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4484 1.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5623 1.2373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5599 -0.2281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1377 2.1653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5908 -0.5530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3351 0.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6360 -0.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0575 -0.2443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5245 -0.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8254 0.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2469 -0.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8938 -0.0383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4850 0.3587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2594 -0.1392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4822 -0.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0371 -0.9293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1121 -1.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7964 -1.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0907 -2.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6795 -2.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9738 -1.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6795 -1.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0907 -1.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9531 -0.6749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5623 -1.7563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9737 -2.7758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8346 -2.2370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9197 2.7758 0.0000 O 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 3 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 4 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 6 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 6 18 1 0 0 0 0 8 19 1 1 0 0 0 15 20 1 0 0 0 0 2 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 25 31 1 0 0 0 0 31 32 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 34 1 0 0 0 0 38 40 1 0 0 0 0 37 41 1 0 0 0 0 36 42 1 0 0 0 0 32 33 1 0 0 0 0 33 43 2 0 0 0 0 16 44 1 0 0 0 0 23 19 1 0 0 0 0 S SKP 8 ID FL4DACGS0010 KNApSAcK_ID C00008702 NAME Taxillusin CAS_RN 66656-93-7 FORMULA C28H26O16 EXACTMASS 618.122084784 AVERAGEMASS 618.49644 SMILES c(c1O)cc(C(C(OC(C5O)OC(C(O)C5O)COC(=O)c(c4)cc(O)c(c(O)4)O)3)Oc(c2)c(C3=O)c(cc(O)2)O)cc1O M END