Mol:FL7AAAGO0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -1.2330 0.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2330 -0.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6766 -0.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1203 -0.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1203 0.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6766 0.9561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4360 -0.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9923 -0.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9923 0.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4360 0.9561 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 1.5484 0.9560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1153 0.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6823 0.9560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6823 1.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1153 1.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5484 1.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7890 0.9560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2491 1.9379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6766 -0.9707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4084 -0.7281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0417 -1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6705 -1.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1360 -1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 -1.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9950 -1.0435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4626 -1.2903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8550 -0.4452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2491 -1.6599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8297 -1.9380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2359 -0.7469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5214 -1.1594 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 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 11 1 0 0 0 0 1 17 1 0 0 0 0 14 18 1 0 0 0 0 3 19 1 0 0 0 0 20 8 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 19 1 0 0 0 0 26 30 1 0 0 0 0 30 31 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 33 M SMT 1 CH2OH M SBV 1 33 -6.1996 5.9633 S SKP 8 ID FL7AAAGS0005 KNApSAcK_ID C00006790 NAME Pelargonidin 5-galactoside CAS_RN 157526-28-8 FORMULA C21H21O10 EXACTMASS 433.113471892 AVERAGEMASS 433.38544 SMILES C(C1Oc(c4)c(c(cc(O)4)3)cc(c([o+1]3)c(c2)ccc(O)c2)O)(O)C(O)C(O)C(O1)CO M END