Mol:FL7AEAGL0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -2.5240 1.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5240 0.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8096 -0.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0951 0.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0951 1.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8096 1.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3806 -0.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3338 0.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3338 1.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3806 1.5242 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 1.1104 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8248 1.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5393 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5393 2.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8248 2.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1104 2.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1795 2.7546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1040 1.4465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8096 -0.8885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 -0.0887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4150 -2.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3268 -2.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8716 -1.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6563 -1.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9145 -1.1655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3696 -1.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3845 -2.2288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5619 -2.7975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0912 -2.5468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1639 -1.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6905 -1.5031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1795 -0.0917 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 14 17 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 8 20 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 23 27 1 0 0 0 0 21 28 1 0 0 0 0 22 29 1 0 0 0 0 26 30 1 0 0 0 0 30 31 1 0 0 0 0 24 20 1 0 0 0 0 2 32 1 0 0 0 0 S SKP 8 ID FL7AEAGL0002 KNApSAcK_ID C00014845 NAME 6-Hydroxypelargonidin 3-glucoside CAS_RN 554450-51-0 FORMULA C21H21O11 EXACTMASS 449.108386514 AVERAGEMASS 449.38484 SMILES C(C1Oc(c(c(c4)ccc(O)c4)2)cc(c(O)3)c(cc(O)c3O)[o+1]2)(O)C(O)C(O)C(O1)CO M END