Mol:FL2FAANP0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -1.3618 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3618 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8055 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2492 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2492 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8055 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3071 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8634 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8634 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3071 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4195 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9865 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5534 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5534 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9865 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4195 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3071 -1.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8055 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8055 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9179 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4744 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4744 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9181 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7722 0.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1202 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3616 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3616 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8055 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9177 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1202 0.9821 0.0000 O 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 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 2 1 0 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 19 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 14 30 1 0 0 0 0 S SKP 8 ID FL2FAANP0002 KNApSAcK_ID C00008262 NAME Lupinifolin CAS_RN 55890-27-2 FORMULA C25H26O5 EXACTMASS 406.178023942 AVERAGEMASS 406.47094 SMILES c(c32)(C(=O)CC(c(c4)ccc(c4)O)O3)c(O)c(c1c2CC=C(C)C)C=CC(O1)(C)C M END