Mol:FL3FAACS0082
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 55 60 0 0 0 0 0 0 0 0999 V2000 4.7093 0.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9948 1.0672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2804 0.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2804 -0.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9948 -0.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7093 -0.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5659 1.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8514 0.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8514 -0.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5659 -0.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9948 -1.1549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5107 1.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2252 0.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9396 1.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9396 1.9424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2252 2.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5107 1.9424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6231 2.3369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5659 -1.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 1.0533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 0.1436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4754 -0.5711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3229 -0.3619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1164 -0.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7038 0.1260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0945 -0.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2515 0.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3712 -0.3396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9241 -0.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1515 -1.0019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7124 0.7688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0215 0.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4651 0.7766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8454 0.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2574 -0.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0812 -0.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4937 0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3187 0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7312 -0.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3187 -1.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4937 -1.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5551 -0.4933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8969 0.7994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6231 0.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3400 -1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9274 -1.9241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1291 -1.7149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3356 -1.9418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7482 -1.2270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5466 -1.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7035 -0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1834 -0.5732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8232 -1.6926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3761 -1.6650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3005 -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 30 1 0 0 0 0 32 52 1 0 0 0 0 S SKP 8 ID FL3FAACS0082 KNApSAcK_ID C00014082 NAME Isovitexin 2''-O-(6'''-feruloyl)glucoside CAS_RN 220948-77-6 FORMULA C37H38O18 EXACTMASS 770.205814412 AVERAGEMASS 770.6868199999999 SMILES C(=CC(=O)OCC(O2)C(O)C(O)C(C2OC(C6O)C(OC(CO)C(O)6)c(c3O)c(O)cc(O4)c(C(=O)C=C(c(c5)ccc(O)c5)4)3)O)c(c1)ccc(O)c1OC M END