Mol:FL2FA9GS0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -1.5411 0.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0202 0.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4993 0.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4993 1.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0202 1.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5411 1.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0216 0.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5425 0.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5425 1.4127 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0216 1.7134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0216 -0.0134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0202 -0.0904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1222 1.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6509 1.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1796 1.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1796 2.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6509 2.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1222 2.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8349 -2.1550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2528 -2.0048 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2805 -1.4101 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9899 -0.8969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6283 -1.1222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5720 -1.7419 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8349 -2.6279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7472 -1.4028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0598 -2.2804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1796 -1.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0799 -1.7645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8983 2.0314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3983 2.8974 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 7 11 2 0 0 0 0 2 12 1 0 0 0 0 9 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 19 20 1 1 0 0 0 20 21 1 1 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 19 25 1 0 0 0 0 21 26 1 0 0 0 0 22 12 1 0 0 0 0 20 27 1 0 0 0 0 24 28 1 0 0 0 0 28 29 1 0 0 0 0 6 30 1 0 0 0 0 30 31 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 28 29 M SBL 2 1 31 M SMT 2 CH2OH M SVB 2 31 -2.1796 -1.3291 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 33 M SMT 1 OCH3 M SVB 1 33 -1.8983 2.0314 S SKP 8 ID FL2FA9GS0008 KNApSAcK_ID C00008484 NAME Pinostrobin 5-O-glucoside CAS_RN 115799-14-9 FORMULA C22H24O9 EXACTMASS 432.14203236599997 AVERAGEMASS 432.42056 SMILES O(c(c42)cc(OC)cc2OC(CC4=O)c(c3)cccc3)[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O M END