Mol:FL7AAHGL0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 56 61 0 0 0 0 0 0 0 0999 V2000 -2.9045 0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9045 0.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1900 -0.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4756 0.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4756 0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1900 1.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7611 -0.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0467 0.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0467 0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7611 1.4006 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.6675 1.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3957 0.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1238 1.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1238 2.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3957 2.6617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6675 2.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6187 1.4004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8455 2.6139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1900 -1.0741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8518 0.9802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7832 -0.3485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7905 -0.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2628 -0.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -0.7407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5115 -1.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0393 -0.7038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3520 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1801 -0.0507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9658 -0.2577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5914 -1.0399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2019 -1.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5264 -1.8933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8308 -3.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5994 -3.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8271 -3.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4032 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5338 -2.6099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3295 -3.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7539 -4.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2382 -4.2786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6187 -3.0180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6910 -3.4219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2377 -3.0261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1986 -2.9805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7566 -3.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1202 -3.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4938 -3.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0476 -2.8633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6025 -3.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7654 -3.1590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4406 -3.6194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4108 -3.7235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4105 3.2765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9774 4.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2148 -2.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4809 -2.3418 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 13 20 1 0 0 0 0 21 8 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 25 31 1 0 0 0 0 31 32 1 0 0 0 0 23 21 1 0 0 0 0 33 34 1 1 0 0 0 34 35 1 1 0 0 0 36 35 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 33 39 1 0 0 0 0 34 40 1 0 0 0 0 35 41 1 0 0 0 0 38 42 1 0 0 0 0 36 32 1 0 0 0 0 42 43 1 0 0 0 0 44 45 1 1 0 0 0 45 46 1 1 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 44 1 0 0 0 0 44 50 1 0 0 0 0 45 51 1 0 0 0 0 46 52 1 0 0 0 0 47 43 1 0 0 0 0 53 54 1 0 0 0 0 15 53 1 0 0 0 0 55 56 1 0 0 0 0 49 55 1 0 0 0 0 M CHG 1 10 1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 53 54 M SBL 1 1 59 M SMT 1 OCH3 M SBV 1 59 -0.0147 -0.6148 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 55 56 M SBL 2 1 61 M SMT 2 ^ CH2OH M SBV 2 61 0.6124 -0.5394 S SKP 5 ID FL7AAHGL0006 FORMULA C34H43O22 EXACTMASS 803.2245980600001 AVERAGEMASS 803.69202 SMILES C(O)(C5O)C(C(OC5COC(O6)C(C(O)C(C6CO)O)O)OCC(C(O)1)OC(Oc(c3)c(c(c4)cc(OC)c(O)c4O)[o+1]c(c23)cc(O)cc2O)C(O)C1O)O M END