Mol:FL5FACGS0081
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 54 59 0 0 0 0 0 0 0 0999 V2000 2.8422 3.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8422 2.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5566 1.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2711 2.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2711 3.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5566 3.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1278 1.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4133 2.2332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6988 1.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6988 0.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4133 0.5832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1278 0.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0157 2.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 1.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 0.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0157 0.5832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4133 -0.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4445 2.2332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8422 0.5832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0157 -0.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8630 3.3999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8996 1.8703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1703 2.7831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7577 2.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9594 2.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1659 2.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5784 2.7654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3768 2.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6974 3.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3409 3.0658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8996 2.5873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4525 2.2435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3663 1.5537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6823 -0.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3972 -1.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1406 -0.8959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9627 -0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2479 -0.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5044 -0.5503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0979 -1.6080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7947 -1.5185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9845 -1.2049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1070 -0.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6631 -2.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4165 -3.2551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9405 -2.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7162 -2.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9629 -1.9991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4388 -2.6366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 -2.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3153 -2.8075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1646 -3.4707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6964 -3.4336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9826 -2.7635 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 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 22 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 28 1 0 0 0 0 28 23 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 25 33 1 0 0 0 0 26 18 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 1 0 0 0 37 36 1 1 0 0 0 38 37 1 1 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 37 40 1 0 0 0 0 36 41 1 0 0 0 0 35 42 1 0 0 0 0 34 43 1 0 0 0 0 44 45 1 1 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 44 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 44 52 1 0 0 0 0 45 53 1 0 0 0 0 46 54 1 0 0 0 0 38 19 1 0 0 0 0 47 40 1 0 0 0 0 S SKP 5 ID FL5FACGS0081 FORMULA C33H40O21 EXACTMASS 772.206208342 AVERAGEMASS 772.6581 SMILES O(C(C)2)C(OC(=C(c(c6)ccc(O)c6O)5)C(=O)c(c4O5)c(cc(c4)OC(C(O)3)OC(CO)C(O)C3O)O)C(C(C2O)O)OC(O1)C(C(C(O)C1CO)O)O M END
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