Mol:FL5FAAGI0012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 57 62 0 0 0 0 0 0 0 0999 V2000 -1.4951 0.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4951 -0.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9388 -0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3825 -0.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3825 0.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9388 0.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1738 -0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7301 -0.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7301 0.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1738 0.8977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1738 -0.8879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2862 0.8976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8531 0.5702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4201 0.8976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4201 1.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8531 1.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2862 1.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0512 0.8976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9869 1.8795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1242 -0.4547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9388 -1.0291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9388 1.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4949 1.8609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4949 2.5030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9388 2.8241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0510 2.8241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9845 0.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6133 0.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0788 0.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5630 0.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9378 0.9194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4054 0.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4983 0.5244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1919 0.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7725 0.0248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9748 -1.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5102 -1.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3403 -1.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5102 -0.5307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9748 -0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1447 -0.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8012 -0.8160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1123 -1.9273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3811 -2.2053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8689 -1.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -2.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1396 -2.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9697 -1.7475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1396 -1.1495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -0.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7740 -1.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4306 -1.4348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -2.5461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0104 -2.8241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4983 -2.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8039 1.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0070 1.2432 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 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 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 1 18 1 0 0 0 0 15 19 1 0 0 0 0 8 20 1 0 0 0 0 3 21 1 0 0 0 0 6 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 27 28 1 1 0 0 0 28 29 1 1 0 0 0 30 29 1 1 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 27 1 0 0 0 0 27 33 1 0 0 0 0 28 34 1 0 0 0 0 29 35 1 0 0 0 0 30 18 1 0 0 0 0 37 36 1 1 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 1 0 0 0 41 36 1 1 0 0 0 41 42 1 0 0 0 0 36 43 1 0 0 0 0 37 44 1 0 0 0 0 38 45 1 0 0 0 0 40 20 1 0 0 0 0 47 46 1 1 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 1 0 0 0 51 46 1 1 0 0 0 51 52 1 0 0 0 0 46 53 1 0 0 0 0 47 54 1 0 0 0 0 48 55 1 0 0 0 0 50 42 1 0 0 0 0 32 56 1 0 0 0 0 56 57 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 56 57 M SBL 1 1 61 M SMT 1 ^CH2OH M SBV 1 61 -6.5095 5.2176 S SKP 8 ID FL5FAAGI0012 KNApSAcK_ID C00005815 NAME Diphylloside B CAS_RN 118544-18-6 FORMULA C38H48O19 EXACTMASS 808.278979354 AVERAGEMASS 808.77632 SMILES c(c5)(OC(C6O)OC(C(C6O)O)CO)c(c(c(c5O)1)OC(c(c4)ccc(O)c4)=C(OC(C(OC(C3O)OC(C(C3O)O)C)2)OC(C(C(O)2)O)C)C1=O)CC=C(C)C M END