Mol:FL7AAIGL0037
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 57 62 0 0 0 0 0 0 0 0999 V2000 -3.0931 1.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0931 0.8371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3787 0.4246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6642 0.8371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6642 1.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3787 2.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9497 0.4246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2353 0.8371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2353 1.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9497 2.0746 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.5413 2.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2558 1.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9702 2.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9702 2.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2558 3.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5413 2.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6104 3.3050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6731 1.9969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3787 -0.3381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6352 1.7265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2558 4.0255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8140 4.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3522 2.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4149 0.4617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7024 0.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0860 0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9106 0.0931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6027 -0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2191 0.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3945 0.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8848 0.7554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3348 0.6892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9333 -0.1999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3219 -0.3535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6624 -1.0713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1752 -1.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7219 -2.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5272 -2.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3121 -2.5755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7655 -1.8860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9601 -2.0663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5893 -1.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0440 -3.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3187 -3.2837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0009 -2.2299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6031 -2.9189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0177 -3.6369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 -2.9189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 -3.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4583 -3.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 -2.9189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6958 -2.9189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1083 -3.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6958 -4.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 -4.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9333 -3.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1992 -2.4154 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 14 17 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 13 20 1 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 20 23 1 0 0 0 0 8 24 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 1 0 0 0 28 27 1 1 0 0 0 29 28 1 1 0 0 0 29 30 1 0 0 0 0 30 25 1 0 0 0 0 25 31 1 0 0 0 0 30 32 1 0 0 0 0 29 33 1 0 0 0 0 28 34 1 0 0 0 0 34 35 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 1 0 0 0 39 38 1 1 0 0 0 40 39 1 1 0 0 0 40 41 1 0 0 0 0 41 36 1 0 0 0 0 35 40 1 0 0 0 0 36 42 1 0 0 0 0 38 43 1 0 0 0 0 39 44 1 0 0 0 0 26 24 1 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 46 48 1 0 0 0 0 48 49 2 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 53 54 1 0 0 0 0 54 55 2 0 0 0 0 55 50 1 0 0 0 0 53 56 1 0 0 0 0 45 37 1 0 0 0 0 52 57 1 0 0 0 0 M CHG 1 10 1 S SKP 5 ID FL7AAIGL0037 FORMULA C38H41O19 EXACTMASS 801.22420413 AVERAGEMASS 801.72074 SMILES c(c6)(cc([o+1]1)c(c6O)cc(OC(C(O)5)OC(C(C5O)O)COC(C4O)OC(C(C(O)4)OC(=O)C=Cc(c3)cc(O)c(O)c3)C)c(c(c2)cc(c(O)c(OC)2)OC)1)O M END