Mol:FL3FAADS0009
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 49 54 0 0 0 0 0 0 0 0999 V2000 -0.5977 0.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5977 -0.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1109 -0.7954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8195 -0.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8195 0.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1109 0.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5282 -0.7954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2368 -0.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2368 0.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5282 0.8411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5282 -1.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1109 -1.6133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1027 0.9723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8494 0.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 0.9723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 1.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8494 2.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1027 1.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3424 2.2654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4995 -0.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8428 -0.9590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1860 -0.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2927 -0.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9232 -0.0920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6326 -0.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3434 0.3592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4772 -0.9590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4594 1.2727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5984 -1.0289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8372 -1.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1804 -2.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5237 -1.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6304 -1.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2609 -1.2936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9703 -1.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3424 -1.7166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9987 -2.2656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0712 -2.2190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3815 1.3984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7247 0.6628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0680 1.0569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1746 0.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8052 1.5297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5145 1.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9643 1.0619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4253 0.6628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6175 0.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0370 1.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1268 1.1852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 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 5 1 0 0 0 0 7 11 2 0 0 0 0 3 12 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 9 13 1 0 0 0 0 16 19 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 2 23 1 0 0 0 0 1 28 1 0 0 0 0 22 29 1 0 0 0 0 30 31 1 1 0 0 0 31 32 1 1 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 30 1 0 0 0 0 30 36 1 0 0 0 0 31 37 1 0 0 0 0 32 38 1 0 0 0 0 33 29 1 0 0 0 0 39 40 1 1 0 0 0 40 41 1 1 0 0 0 42 41 1 1 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 39 1 0 0 0 0 39 45 1 0 0 0 0 40 46 1 0 0 0 0 41 47 1 0 0 0 0 42 28 1 0 0 0 0 48 49 1 0 0 0 0 44 48 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 48 49 M SBL 1 1 54 M SMT 1 ^CH2OH M SBV 1 54 0.5224 -0.5224 S SKP 5 ID FL3FAADS0009 FORMULA C31H36O18 EXACTMASS 696.190164348 AVERAGEMASS 696.60674 SMILES OC(C(O)6)C(OC(CO)C6O)Oc(c3)c(C(C4OC(O5)C(O)C(C(O)C5)O)OCC(O)C(O)4)c(O)c(c13)C(C=C(c(c2)ccc(c2)O)O1)=O M END
</pre>