Mol:FL4DA8GS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -1.8472 0.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3263 0.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8054 0.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8054 1.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3263 1.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8472 1.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2845 0.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2364 0.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2364 1.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2845 1.3520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2845 -0.3748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8161 1.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3448 1.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8735 1.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8735 1.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3448 2.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8161 1.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2979 1.3385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7046 -0.1269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3263 -0.4518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3060 2.2557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2979 1.1057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9687 -0.3971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3757 0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4989 -0.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2352 -1.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8281 -1.8097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7050 -1.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1236 -1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1981 -0.6868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7057 -2.2665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2352 -1.8760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 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 1 1 0 0 0 0 3 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 4 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 6 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 6 18 1 0 0 0 0 8 19 1 1 0 0 0 2 20 1 0 0 0 0 17 21 1 0 0 0 0 14 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 19 24 1 0 0 0 0 28 29 1 0 0 0 0 25 30 1 0 0 0 0 27 31 1 0 0 0 0 26 32 1 0 0 0 0 S SKP 8 ID FL4DA8GS0001 KNApSAcK_ID C00008692 NAME 3,5,7,2',5'-Pentahydroxyflavanone 3-rhamnoside CAS_RN 157072-27-0 FORMULA C21H22O11 EXACTMASS 450.116211546 AVERAGEMASS 450.39278 SMILES O(C(C3c(c4)c(O)ccc(O)4)C(=O)c(c(O3)2)c(cc(O)c2)O)C(O1)C(O)C(O)C(O)C(C)1 M END