Mol:FL2FA8NP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -1.0784 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0784 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5221 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0342 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0342 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5221 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5905 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1468 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1468 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5905 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7029 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2699 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8368 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8368 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2699 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7029 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5905 -1.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5221 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5221 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6345 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1361 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1910 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1910 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6347 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4888 0.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8368 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0782 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0782 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5221 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6343 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 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 5 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 3 18 1 0 0 0 0 6 19 1 0 0 0 0 1 20 1 0 0 0 0 16 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 2 1 0 0 0 0 22 25 1 0 0 0 0 22 26 1 0 0 0 0 19 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 S SKP 8 ID FL2FA8NP0001 KNApSAcK_ID C00008261 NAME Minimiflorin CAS_RN 98621-33-1 FORMULA C25H26O5 EXACTMASS 406.178023942 AVERAGEMASS 406.47094 SMILES C(=O)(c31)CC(c(c4O)cccc4)Oc1c(CC=C(C)C)c(O2)c(c3O)C=CC2(C)C M END