Mol:FL2FAAGI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 36 39 0 0 0 0 0 0 0 0999 V2000 -0.8554 -0.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1428 0.0547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8522 -1.1859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1355 -1.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5772 -1.1796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5735 -0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2934 -1.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0061 -1.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0024 -0.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2861 0.0611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6562 0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3723 -0.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0851 0.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0819 0.8631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3659 1.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6530 0.8576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2945 -2.2322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1355 -2.3034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6689 1.2019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1428 0.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7666 1.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7666 1.9233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1467 2.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4249 2.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4732 -0.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1857 0.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7730 -0.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9747 -0.3699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1812 -0.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5938 0.1180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3922 -0.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5491 0.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0290 0.7718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6689 -0.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2217 -0.3200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1462 -1.0098 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 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 1 25 1 0 0 0 0 26 27 1 1 0 0 0 27 28 1 1 0 0 0 29 28 1 1 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 26 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 26 34 1 0 0 0 0 27 35 1 0 0 0 0 28 36 1 0 0 0 0 29 25 1 0 0 0 0 S SKP 8 ID FL2FAAGI0002 KNApSAcK_ID C00014360 NAME Phellodensin F;Flavaprin;5,7,4'-Trihydroxy-8-C-prenylflavanone 7-glucoside CAS_RN 53846-49-4 FORMULA C26H30O10 EXACTMASS 502.18389718 AVERAGEMASS 502.5104 SMILES c(c42)(cc(c(CC=C(C)C)c2OC(CC4=O)c(c3)ccc(O)c3)OC(O1)C(C(C(O)C(CO)1)O)O)O M END