Mol:FL5FAGGS0015
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 44 48 0 0 0 0 0 0 0 0999 V2000 -3.3376 1.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3376 0.6536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7813 0.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 0.6536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 1.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7813 1.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6687 0.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1124 0.6536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1124 1.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6687 1.6172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6687 -0.1684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 1.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 1.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7220 1.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7220 2.3955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 2.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 2.3955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7813 -0.3097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3288 2.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8326 1.6172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5491 0.2441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 3.3773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5036 -0.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1318 -1.1711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9325 -0.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1318 0.2281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5036 0.5909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7029 -0.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4732 -0.1067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6649 -1.4106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9802 -1.7368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5527 -0.8317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3194 -2.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 -2.8558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0085 -2.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3125 -2.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9207 -2.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2248 -2.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9207 -1.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3125 -1.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2246 -1.2713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8326 -2.3243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2246 -3.3773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2888 1.4136 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 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 9 12 1 0 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 3 18 1 0 0 0 0 19 15 1 0 0 0 0 20 1 1 0 0 0 0 21 8 1 0 0 0 0 4 3 1 0 0 0 0 16 22 1 0 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 1 0 0 0 28 23 1 1 0 0 0 28 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 25 32 1 0 0 0 0 27 21 1 0 0 0 0 31 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 35 1 0 0 0 0 39 41 1 0 0 0 0 38 42 1 0 0 0 0 37 43 1 0 0 0 0 14 44 1 0 0 0 0 S SKP 8 ID FL5FAGGS0015 KNApSAcK_ID C00006044 NAME Myricetin 3-(4''-galloylrhamnoside) CAS_RN 85541-03-3 FORMULA C28H24O16 EXACTMASS 616.1064347199999 AVERAGEMASS 616.48056 SMILES O=C(OC(C(O)2)C(C)OC(OC(C5=O)=C(Oc(c54)cc(cc(O)4)O)c(c3)cc(c(O)c3O)O)C2O)c(c1)cc(O)c(c(O)1)O M END
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