Mol:FL7AAIGL0003
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 46 50 0 0 0 0 0 0 0 0999 V2000 | + | 46 50 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.4698 0.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4698 0.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4698 -0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4698 -0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7554 -0.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7554 -0.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0409 -0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0409 -0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0409 0.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0409 0.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7554 0.9973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7554 0.9973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3265 -0.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3265 -0.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6120 -0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6120 -0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6120 0.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6120 0.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3265 0.9973 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -1.3265 0.9973 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1022 0.9972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1022 0.9972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8304 0.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8304 0.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5586 0.9972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5586 0.9972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5586 1.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5586 1.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8304 2.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8304 2.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1022 1.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1022 1.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1840 0.9972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1840 0.9972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2049 2.1873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2049 2.1873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7554 -1.4773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7554 -1.4773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1739 -0.7076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1739 -0.7076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5369 -1.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5369 -1.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1142 -1.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1142 -1.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0543 -2.3109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0543 -2.3109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1701 -3.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1701 -3.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5369 -3.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5369 -3.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3127 -2.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3127 -2.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6110 -1.2084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6110 -1.2084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9977 -3.2135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9977 -3.2135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4382 -4.0656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4382 -4.0656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7370 -2.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7370 -2.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2529 -3.6192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2529 -3.6192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9959 -3.3304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9959 -3.3304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7127 -3.3227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7127 -3.3227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1919 -2.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1919 -2.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5419 -3.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5419 -3.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5738 -3.6185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5738 -3.6185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7116 -3.7989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7116 -3.7989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1840 -3.1446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1840 -3.1446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2779 -3.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2779 -3.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5619 -3.9454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5619 -3.9454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1978 0.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1978 0.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4821 0.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4821 0.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8987 -2.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8987 -2.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6580 -1.4874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6580 -1.4874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8259 2.9132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8259 2.9132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3926 4.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3926 4.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 8 1 0 0 0 0 | + | 20 8 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 22 20 1 0 0 0 0 | + | 22 20 1 0 0 0 0 |
| − | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 33 32 1 1 0 0 0 | + | 33 32 1 1 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 30 1 0 0 0 0 | + | 35 30 1 0 0 0 0 |
| − | 31 36 1 0 0 0 0 | + | 31 36 1 0 0 0 0 |
| − | 32 37 1 0 0 0 0 | + | 32 37 1 0 0 0 0 |
| − | 33 38 1 0 0 0 0 | + | 33 38 1 0 0 0 0 |
| − | 30 28 1 0 0 0 0 | + | 30 28 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 24 39 1 0 0 0 0 | + | 24 39 1 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 13 41 1 0 0 0 0 | + | 13 41 1 0 0 0 0 |
| − | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
| − | 34 43 1 0 0 0 0 | + | 34 43 1 0 0 0 0 |
| − | 45 46 1 0 0 0 0 | + | 45 46 1 0 0 0 0 |
| − | 15 45 1 0 0 0 0 | + | 15 45 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 39 40 | + | M SAL 1 2 39 40 |
| − | M SBL 1 1 44 | + | M SBL 1 1 44 |
| − | M SMT 1 ^ CH2OH | + | M SMT 1 ^ CH2OH |
| − | M SBV 1 44 0.1078 0.8726 | + | M SBV 1 44 0.1078 0.8726 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 41 42 | + | M SAL 2 2 41 42 |
| − | M SBL 2 1 46 | + | M SBL 2 1 46 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 46 -0.6392 0.3960 | + | M SBV 2 46 -0.6392 0.3960 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 43 44 | + | M SAL 3 2 43 44 |
| − | M SBL 3 1 48 | + | M SBL 3 1 48 |
| − | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
| − | M SBV 3 48 -0.7068 -0.0527 | + | M SBV 3 48 -0.7068 -0.0527 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 45 46 | + | M SAL 4 2 45 46 |
| − | M SBL 4 1 50 | + | M SBL 4 1 50 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SBV 4 50 0.0045 -0.6548 | + | M SBV 4 50 0.0045 -0.6548 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AAIGL0003 | + | ID FL7AAIGL0003 |
| − | FORMULA C29H35O17 | + | FORMULA C29H35O17 |
| − | EXACTMASS 655.187424694 | + | EXACTMASS 655.187424694 |
| − | AVERAGEMASS 655.578 | + | AVERAGEMASS 655.578 |
| − | SMILES C(C4OC(C5O)OC(C(C(O)5)O)CO)(O)C(OC(C4O)Oc(c2)c(c(c3)cc(OC)c(c(OC)3)O)[o+1]c(c21)cc(O)cc1O)CO | + | SMILES C(C4OC(C5O)OC(C(C(O)5)O)CO)(O)C(OC(C4O)Oc(c2)c(c(c3)cc(OC)c(c(OC)3)O)[o+1]c(c21)cc(O)cc1O)CO |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
46 50 0 0 0 0 0 0 0 0999 V2000
-3.4698 0.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4698 -0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7554 -0.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0409 -0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0409 0.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7554 0.9973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3265 -0.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6120 -0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6120 0.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3265 0.9973 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.1022 0.9972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8304 0.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5586 0.9972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5586 1.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8304 2.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1022 1.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1840 0.9972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2049 2.1873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7554 -1.4773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1739 -0.7076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5369 -1.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1142 -1.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0543 -2.3109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1701 -3.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5369 -3.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3127 -2.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6110 -1.2084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9977 -3.2135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4382 -4.0656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7370 -2.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2529 -3.6192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9959 -3.3304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7127 -3.3227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1919 -2.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5419 -3.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5738 -3.6185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7116 -3.7989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1840 -3.1446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2779 -3.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5619 -3.9454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1978 0.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4821 0.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8987 -2.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6580 -1.4874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8259 2.9132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3926 4.0656 0.0000 C 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 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
22 20 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
31 36 1 0 0 0 0
32 37 1 0 0 0 0
33 38 1 0 0 0 0
30 28 1 0 0 0 0
39 40 1 0 0 0 0
24 39 1 0 0 0 0
41 42 1 0 0 0 0
13 41 1 0 0 0 0
43 44 1 0 0 0 0
34 43 1 0 0 0 0
45 46 1 0 0 0 0
15 45 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 39 40
M SBL 1 1 44
M SMT 1 ^ CH2OH
M SBV 1 44 0.1078 0.8726
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 41 42
M SBL 2 1 46
M SMT 2 OCH3
M SBV 2 46 -0.6392 0.3960
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 43 44
M SBL 3 1 48
M SMT 3 CH2OH
M SBV 3 48 -0.7068 -0.0527
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 45 46
M SBL 4 1 50
M SMT 4 OCH3
M SBV 4 50 0.0045 -0.6548
S SKP 5
ID FL7AAIGL0003
FORMULA C29H35O17
EXACTMASS 655.187424694
AVERAGEMASS 655.578
SMILES C(C4OC(C5O)OC(C(C(O)5)O)CO)(O)C(OC(C4O)Oc(c2)c(c(c3)cc(OC)c(c(OC)3)O)[o+1]c(c21)cc(O)cc1O)CO
M END
