Mol:FL3FFCGS0023
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 54 59 0 0 0 0 0 0 0 0999 V2000 -0.2558 0.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2558 -0.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4587 -0.4959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1732 -0.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1732 0.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4587 1.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9703 -0.4959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6847 -0.0834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3992 -0.4959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3992 -1.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6847 -1.7334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9703 -1.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1137 -0.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8281 -0.4959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8281 -1.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1137 -1.7334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6847 -2.4517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5426 -0.0834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1137 -2.4194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8787 1.1431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8376 -0.4671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1137 0.5710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6915 2.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8736 2.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1456 1.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7171 0.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5349 1.7665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2629 2.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2696 3.0584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2903 2.5095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2300 0.8377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0060 -0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4509 -0.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2743 -0.6989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0095 -1.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5647 -0.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7413 -0.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2722 -0.0821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4808 -0.0784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2903 -0.6864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7702 -1.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1131 -1.5282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6297 -1.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0746 -2.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8979 -2.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6332 -2.8781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1884 -2.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3650 -2.3205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7122 -1.8630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4977 -2.2397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3157 -2.9521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5697 -3.5078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2266 2.9788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3909 3.5078 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 16 19 1 0 0 0 0 5 20 1 0 0 0 0 4 21 1 0 0 0 0 13 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 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 31 1 0 0 0 0 26 22 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 1 0 0 0 35 34 1 1 0 0 0 36 35 1 1 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 32 38 1 0 0 0 0 37 39 1 0 0 0 0 36 40 1 0 0 0 0 35 41 1 0 0 0 0 41 42 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 1 0 0 0 46 45 1 1 0 0 0 47 46 1 1 0 0 0 47 48 1 0 0 0 0 48 43 1 0 0 0 0 42 47 1 0 0 0 0 43 49 1 0 0 0 0 44 50 1 0 0 0 0 45 51 1 0 0 0 0 46 52 1 0 0 0 0 33 21 1 0 0 0 0 53 54 1 0 0 0 0 28 53 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 53 54 M SBL 1 1 59 M SMT 1 CH2OH M SBV 1 59 -0.0363 -0.8240 S SKP 5 ID FL3FFCGS0023 FORMULA C33H40O21 EXACTMASS 772.206208342 AVERAGEMASS 772.6581 SMILES O(C1CO)C(Oc(c(O)6)c(c5c(c6)O)OC(=CC5=O)c(c2)ccc(c2OC(O3)C(C(O)C(O)C3COC(C4O)OC(C(O)C(O)4)C)O)O)C(C(C1O)O)O M END
</pre>