Mol:FL3FALNI0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 0.1799 0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1799 -0.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7362 -0.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2925 -0.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2925 0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7362 0.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8488 -0.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4052 -0.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4052 0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8488 0.4996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8488 -1.2859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9612 0.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5282 0.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0952 0.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0952 1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5282 1.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9612 1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3762 0.4995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6087 1.3889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3944 1.4814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5237 -0.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6087 -0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0538 -0.8463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5001 -0.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9476 -0.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0538 -1.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3950 -0.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8437 -0.8449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8437 -1.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1607 -0.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7362 -1.1790 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 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 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 12 1 0 0 0 0 1 18 1 0 0 0 0 19 15 1 0 0 0 0 17 20 1 0 0 0 0 2 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 23 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 21 30 1 0 0 0 0 30 28 2 0 0 0 0 3 31 1 0 0 0 0 S SKP 8 ID FL3FALNI0005 KNApSAcK_ID C00004027 NAME Albanin E CAS_RN 134955-27-4 FORMULA C25H26O6 EXACTMASS 422.172938564 AVERAGEMASS 422.47033999999996 SMILES C(c(c3)c(O)cc(O)c3)(=C2)Oc(c1)c(C2=O)c(c(c1O)CC=C(C)CCC=C(C)C)O M END