Mol:FL7AACGL0060
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 63 69 0 0 0 0 0 0 0 0999 V2000 -3.2340 0.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2340 -0.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5195 -1.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8051 -0.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8051 0.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5195 0.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0906 -1.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3761 -0.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3761 0.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0906 0.5407 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.3381 0.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0663 0.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7945 0.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7945 1.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0663 1.8017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3381 1.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9482 0.5405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5224 1.8016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5195 -1.9339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3865 -1.2525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0748 -0.9114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5907 -1.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3337 -1.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0506 -1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5297 -0.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8797 -1.1178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8498 -1.5712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0096 -1.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6650 -1.0337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0663 2.6423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9207 -1.8530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4441 -2.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7576 -2.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0952 -2.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5765 -1.7267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1771 -2.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4348 -2.0508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1195 -2.5191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1553 -2.6927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1980 -0.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1552 -3.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5924 -3.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5568 -2.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9301 -2.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1102 -2.5963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1825 -3.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0595 -4.6211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 -2.6231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0083 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7638 -0.2525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0101 1.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7743 1.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7760 2.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1209 2.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1227 3.3845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7796 3.7965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4348 3.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4330 2.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7815 4.6211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3481 -0.0780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4096 -4.2743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7754 -1.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3404 -1.0147 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 22 27 1 0 0 0 0 23 28 1 0 0 0 0 24 29 1 0 0 0 0 15 30 1 0 0 0 0 31 32 1 1 0 0 0 32 33 1 1 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 31 1 0 0 0 0 31 37 1 0 0 0 0 32 38 1 0 0 0 0 33 39 1 0 0 0 0 34 19 1 0 0 0 0 25 40 1 0 0 0 0 41 42 1 1 0 0 0 42 43 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 41 1 0 0 0 0 41 47 1 0 0 0 0 20 21 1 0 0 0 0 27 44 1 0 0 0 0 48 43 1 0 0 0 0 49 50 2 0 0 0 0 49 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 57 1 0 0 0 0 57 58 2 0 0 0 0 58 53 1 0 0 0 0 56 59 1 0 0 0 0 60 49 1 0 0 0 0 60 40 1 0 0 0 0 42 61 1 0 0 0 0 62 63 1 0 0 0 0 36 62 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 0.5983 -0.5105 S SKP 5 ID FL7AACGL0060 FORMULA C41H45O22 EXACTMASS 889.240248124 AVERAGEMASS 889.7828 SMILES Oc(c(O)7)ccc(c7)c([o+1]4)c(cc(c5OC(O6)C(C(O)C(C6CO)O)O)c4cc(c5)O)OC(C(OC(C(O)3)OCC(O)C3O)1)OC(COC(=O)C=Cc(c2)ccc(O)c2)C(O)C1O M END