Mol:FL4D1ANI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 32 0 0 0 0 0 0 0 0999 V2000 -2.6419 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6001 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6001 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 -0.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6419 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0792 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0792 -0.0379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0792 -1.7647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4964 -0.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0307 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0307 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4964 0.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1623 -0.0382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -1.2405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6414 0.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6414 1.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1617 1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5642 0.8868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5642 -0.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0977 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6300 -0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1623 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6300 -0.9601 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 6 18 1 0 0 0 0 8 19 1 1 0 0 0 5 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 15 25 1 0 0 0 0 14 26 1 0 0 0 0 26 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 FL4D1ANI0001 KNApSAcK_ID C00008611 NAME 3-Hydroxyglabrol CAS_RN 74148-41-7 FORMULA C25H28O5 EXACTMASS 408.193674006 AVERAGEMASS 408.48682 SMILES C(=C(C)C)Cc(c3O)c(c(cc3)2)OC(C(C2=O)O)c(c1)cc(CC=C(C)C)c(c1)O M END