Mol:FL3FALNI0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -2.0450 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0450 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4887 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9324 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9324 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4887 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3761 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1802 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1802 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3761 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3761 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7363 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3033 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8703 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8703 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3033 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7363 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3838 1.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4887 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1695 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7363 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2924 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8473 -0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4022 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8473 -1.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4022 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9022 1.6360 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 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 18 15 1 0 0 0 0 3 19 1 0 0 0 0 17 20 1 0 0 0 0 8 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 1 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 26 27 M SBL 1 1 28 M SMT 1 OCH3 M SVB 1 28 -2.4022 0.77 S SKP 8 ID FL3FALNI0008 KNApSAcK_ID C00004031 NAME Integrin CAS_RN 60791-49-3 FORMULA C21H20O6 EXACTMASS 368.125988372 AVERAGEMASS 368.37989999999996 SMILES c(c(O)1)c(O)ccc1C(O3)=C(CC=C(C)C)C(=O)c(c32)c(cc(OC)c2)O M END