Mol:FL7AAAGL0048
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 65 71 0 0 0 0 0 0 0 0999 V2000 -2.9408 0.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9408 -0.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2263 -1.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5118 -0.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5118 0.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2263 0.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7972 -1.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0827 -0.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0827 0.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7972 0.4505 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.6315 0.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3598 0.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0880 0.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0880 1.2913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3598 1.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6315 1.2913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6550 0.4504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8161 1.7116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2263 -2.0244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5808 -1.2561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0772 -4.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8248 -3.9438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7892 -3.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 -2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3424 -2.8102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4148 -3.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0579 -4.8692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4756 -2.8626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5080 -2.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0661 -2.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4297 -2.3836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8155 -2.3769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2618 -1.9305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9120 -2.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9499 -2.2068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7706 -2.5834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8986 -2.7702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1824 -1.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6335 -1.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2829 -1.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9096 -1.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4543 -0.9854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8860 -1.2852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9112 -1.6532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8833 -1.8055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3704 -0.5114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9629 -0.0400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7124 -0.5563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9629 0.8332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6814 1.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6814 2.3439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4109 2.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4109 3.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6814 4.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9519 3.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9519 2.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2239 4.0277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6814 4.8692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3065 -1.1861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9989 -0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5583 -4.4896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4505 -1.7336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4109 -1.2859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1869 -3.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8682 -3.0609 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 20 8 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 21 27 1 0 0 0 0 23 28 1 0 0 0 0 29 30 1 1 0 0 0 30 31 1 1 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 29 1 0 0 0 0 29 35 1 0 0 0 0 30 36 1 0 0 0 0 31 37 1 0 0 0 0 32 19 1 0 0 0 0 38 39 1 1 0 0 0 39 40 1 1 0 0 0 41 40 1 1 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 38 1 0 0 0 0 39 44 1 0 0 0 0 40 45 1 0 0 0 0 20 38 1 0 0 0 0 24 44 1 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 47 49 1 0 0 0 0 49 50 2 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 54 55 1 0 0 0 0 55 56 2 0 0 0 0 56 51 1 0 0 0 0 55 57 1 0 0 0 0 54 58 1 0 0 0 0 41 59 1 0 0 0 0 42 60 1 0 0 0 0 60 46 1 0 0 0 0 22 61 1 0 0 0 0 62 63 1 0 0 0 0 34 62 1 0 0 0 0 64 65 1 0 0 0 0 26 64 1 0 0 0 0 M CHG 1 10 1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 62 63 M SBL 1 1 69 M SMT 1 ^ CH2OH M SBV 1 69 0.5386 -0.4303 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 64 65 M SBL 2 1 71 M SMT 2 ^ CH2OH M SBV 2 71 0.6018 0.2665 S SKP 5 ID FL7AAAGL0048 FORMULA C42H47O23 EXACTMASS 919.25081281 AVERAGEMASS 919.8087800000001 SMILES C(C(C3O)OC(Oc(c5c(c7)ccc(O)c7)cc(c(OC(C6O)OC(CO)C(C6O)O)4)c([o+1]5)cc(O)c4)C(C(O)3)OC(O2)C(O)C(O)C(C2CO)O)OC(=O)C=Cc(c1)ccc(c1O)O M END