Mol:FL2FA8NI0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 34 0 0 0 0 0 0 0 0999 V2000 -1.2556 -1.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7347 -2.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2138 -1.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2138 -1.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7347 -0.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2556 -1.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 -2.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8279 -1.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8279 -1.1514 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3070 -0.8507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3483 -0.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 -2.5775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8827 -1.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 -0.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8827 0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3483 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7347 -2.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7347 0.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2798 0.6836 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2798 1.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8490 1.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7542 0.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2281 0.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7542 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8148 0.0740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8827 -1.7755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8490 2.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4170 2.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2810 2.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8029 -1.6106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9765 -0.6258 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 0 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 2 18 1 0 0 0 0 5 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 20 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 17 26 1 0 0 0 0 13 27 1 0 0 0 0 22 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 6 31 1 0 0 0 0 31 32 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 33 M SMT 1 OCH3 M SVB 1 33 -1.6128 -0.5327 S SKP 8 ID FL2FA8NI0003 KNApSAcK_ID C00008520 NAME Exiguaflavanone B CAS_RN 142608-99-9 FORMULA C26H30O6 EXACTMASS 438.204238692 AVERAGEMASS 438.51279999999997 SMILES c(c3)(c(c(cc3)O)C(C2)Oc(c1CC(C(C)=C)CC=C(C)C)c(C(=O)2)c(cc1OC)O)O M END