Mol:FL2FBAGS0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -2.9817 0.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2691 0.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9785 -0.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2618 -0.8901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5491 -0.4745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5528 0.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8329 -0.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1202 -0.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1239 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8402 0.7662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5299 0.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2460 0.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9588 0.7432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9556 1.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2396 1.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5267 1.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8318 -1.5270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6072 0.7053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2618 -1.6147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5744 1.9255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8909 -1.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9662 -0.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7915 -0.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0121 0.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6072 0.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7819 0.6894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5612 -0.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9759 0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4951 -0.2224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -1.3384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3420 -0.9380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4791 -0.3552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 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 2 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 6 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 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 11 1 0 0 0 0 7 17 2 0 0 0 0 1 18 1 0 0 0 0 4 19 1 0 0 0 0 14 20 1 0 0 0 0 19 21 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 25 20 1 0 0 0 0 S SKP 8 ID FL2FBAGS0002 KNApSAcK_ID C00014324 NAME Alhagitin;7,4'-Dihydroxy-5-methoxyflavanone 4'-glucoside CAS_RN 238750-97-5 FORMULA C22H24O10 EXACTMASS 448.136946988 AVERAGEMASS 448.41996000000006 SMILES c(c4O)c(O1)c(c(c4)OC)C(CC1c(c2)ccc(OC(C(O)3)OC(CO)C(O)C3O)c2)=O M END
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