Mol:025b FLIB
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 36 0 0 0 0 0 0 0 0999 V2000 -3.2642 0.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2642 -0.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5499 -0.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8354 -0.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8354 0.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5499 1.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1210 -0.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4065 -0.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4065 0.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1210 1.0738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3076 -0.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3076 -1.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0715 -1.8990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8353 -1.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8353 -0.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0715 -0.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1210 -1.4006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5499 -1.4006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5984 -1.8986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9787 1.0738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5498 -0.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2642 -0.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2642 -1.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9786 -1.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9786 -0.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9787 -0.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4068 -1.8704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9786 -0.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5498 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2642 1.0740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9787 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2642 1.8990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 11 1 0 7 17 2 0 3 18 1 0 14 19 1 0 20 1 1 0 15 21 1 0 21 22 1 0 22 23 1 0 23 19 1 0 23 24 1 0 23 25 1 0 2 26 1 0 12 27 1 0 22 28 1 0 21 29 1 0 29 30 2 0 30 31 1 0 31 28 1 0 30 32 1 0 S SKP 5 ID 025b FLIB FORMULA C26H28O6 EXACTMASS 436.188588628 AVERAGEMASS 436.49692 SMILES C(C21)CC(=CC1c(c3)c(cc(c3C(C4)C(c(c5O)c(cc(c5C)O)O4)=O)O)OC2(C)C)C M END