Mol:FL4DAANP0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -1.3005 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7796 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2587 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2587 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7796 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3005 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7831 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7831 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3034 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8378 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3722 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3722 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8378 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3034 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3034 -1.2020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9056 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7796 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8213 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3422 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3422 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8213 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7796 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8203 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7796 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7736 0.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9056 -0.4511 0.0000 C 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 9 11 1 6 0 0 0 7 12 2 0 0 0 0 11 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 11 1 0 0 0 0 8 18 1 1 0 0 0 15 19 1 0 0 0 0 2 20 1 0 0 0 0 6 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 1 1 0 0 0 0 5 25 1 0 0 0 0 25 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 22 30 1 0 0 0 0 22 31 1 0 0 0 0 S SKP 8 ID FL4DAANP0003 KNApSAcK_ID C00008621 NAME Lupinifolinol CAS_RN 55890-28-3 FORMULA C25H26O6 EXACTMASS 422.172938564 AVERAGEMASS 422.47033999999996 SMILES C(c(c31)c(O4)c(C=CC4(C)C)c(O)c1C(C(C(O3)c(c2)ccc(c2)O)O)=O)C=C(C)C M END