Mol:FL2FAAGI0003
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 37 40 0 0 0 0 0 0 0 0999 V2000 -0.8554 0.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1428 0.5019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8522 -0.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1355 -1.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5772 -0.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5735 0.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2934 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0061 -0.7261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0024 0.0989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2861 0.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6562 0.4798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3723 0.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0851 0.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0819 1.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3659 1.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6530 1.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2945 -1.7850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1355 -1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6689 1.6491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1263 1.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4732 0.4430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1857 0.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7730 -0.1319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9747 0.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1812 -0.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5938 0.5652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3922 0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5491 0.9419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0290 1.2190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6689 0.0996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2217 0.1272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1462 -0.5627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7069 1.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2669 1.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2669 0.8689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8408 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4763 1.4893 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 6 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 4 18 1 0 0 0 0 14 19 1 0 0 0 0 2 20 1 0 0 0 0 1 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 21 1 0 0 0 0 20 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 S SKP 8 ID FL2FAAGI0003 KNApSAcK_ID C00014361 NAME Phellodensin E;5,7,4'-Trihydroxy-8-C-(3-hydroxymethyl-2-butenyl)flavanone 7-glucoside CAS_RN 531503-85-2 FORMULA C26H30O11 EXACTMASS 518.1788118019999 AVERAGEMASS 518.5098 SMILES C(C4)(Oc(c3C4=O)c(CC=C(CO)C)c(cc3O)OC(O2)C(C(C(O)C(CO)2)O)O)c(c1)ccc(O)c1 M END
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