Mol:FL4DALNI0012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 38 40 0 0 0 0 0 0 0 0999 V2000 -1.4348 -0.2641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7147 0.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4436 -1.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7307 -1.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0152 -1.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0039 -0.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6979 -1.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4160 -1.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4228 -0.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7162 0.1225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1446 0.1036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1535 0.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8727 1.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5810 0.9157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5747 0.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8547 -0.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6830 -2.3523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7457 -2.3327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1417 0.1612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1229 -1.5461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3028 1.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8547 -1.0702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7147 0.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3948 1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3948 1.9495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6972 2.3523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0520 2.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0251 0.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7517 1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4489 0.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4489 0.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0951 1.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1653 -1.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8474 -1.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5742 -1.5297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5742 -2.2915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3028 -1.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2459 -1.9175 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 8 20 1 1 0 0 0 1 19 1 0 0 0 0 14 21 1 0 0 0 0 16 22 1 0 0 0 0 2 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 1 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 24 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 3 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 S SKP 8 ID FL4DALNI0012 KNApSAcK_ID C00014389 NAME Kosamol A;3,5,7,2',4'-Pentahydroxy-6-(3-hydroxy-3-methylbutyl)-8-lavandulylflavanone CAS_RN 182556-80-5 FORMULA C30H38O8 EXACTMASS 526.256668192 AVERAGEMASS 526.61792 SMILES c(c1)(cc(O)c(C(C3O)Oc(c2CC(C(C)=C)CC=C(C)C)c(C3=O)c(O)c(CCC(C)(C)O)c(O)2)c1)O M END