Mol:FL3FAADS0047
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 66 72 0 0 0 0 0 0 0 0999 V2000 4.1085 0.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3940 1.0672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6795 0.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6795 -0.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3940 -0.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1085 -0.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9651 1.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2506 0.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2506 -0.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9651 -0.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3940 -1.1549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9098 1.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6243 0.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3388 1.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3388 1.9424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6243 2.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9098 1.9424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0222 2.3369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9651 -1.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5601 1.0533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4889 0.1436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0762 -0.5711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2779 -0.3619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5156 -0.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 0.1260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6954 -0.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8524 0.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9721 -0.3396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5249 -0.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4494 -1.0019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3132 0.7688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5069 -0.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1328 0.4391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3308 -0.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7427 -0.9223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5666 -0.9223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9791 -0.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8041 -0.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2166 -0.9223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8041 -1.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9791 -1.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0405 -0.9223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3823 0.3704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1084 0.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6715 -0.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4855 0.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5690 0.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0592 1.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2453 1.4275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1617 0.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5579 0.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1305 0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9550 -0.6793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0857 -0.2508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1084 0.5153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9227 -1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5101 -1.9241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7117 -1.7149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9182 -1.9418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3308 -1.2270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1292 -1.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2862 -0.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7660 -0.5732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4059 -1.6926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9587 -1.6650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8832 -2.3549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 1 0 0 0 0 6 1 2 0 0 0 0 3 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 4 1 0 0 0 0 5 11 2 0 0 0 0 1 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 15 18 1 0 0 0 0 10 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 26 27 1 0 0 0 0 27 31 1 0 0 0 0 21 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 24 9 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 36 1 0 0 0 0 39 42 1 0 0 0 0 38 43 1 0 0 0 0 43 44 1 0 0 0 0 45 46 1 1 0 0 0 46 47 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 45 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 45 53 1 0 0 0 0 46 54 1 0 0 0 0 47 55 1 0 0 0 0 48 18 1 0 0 0 0 56 57 1 1 0 0 0 57 58 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 56 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 56 64 1 0 0 0 0 57 65 1 0 0 0 0 58 66 1 0 0 0 0 59 30 1 0 0 0 0 32 63 1 0 0 0 0 S SKP 8 ID FL3FAADS0047 KNApSAcK_ID C00014083 NAME Isovitexin 2''-O-(6'''-(E)-feruloyl)glucoside 4'-O-glucoside CAS_RN 372113-57-0 FORMULA C43H48O23 EXACTMASS 932.258637842 AVERAGEMASS 932.8274200000001 SMILES C(OC(C(c(c7O)c(c(C6=O)c(c7)OC(=C6)c(c5)ccc(c5)OC(O4)C(O)C(O)C(C4CO)O)O)3)C(C(O)C(O3)CO)O)(O1)C(O)C(O)C(O)C1COC(=O)C=Cc(c2)cc(c(O)c2)OC M END