Mol:FL3FACDS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 43 47 0 0 0 0 0 0 0 0999 V2000 | + | 43 47 0 0 0 0 0 0 0 0999 V2000 |
| − | -4.4455 -0.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4455 -0.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4455 -1.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4455 -1.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7310 -2.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7310 -2.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0166 -1.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0166 -1.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0166 -0.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0166 -0.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7310 -0.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7310 -0.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3021 -2.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3021 -2.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5877 -1.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5877 -1.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5877 -0.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5877 -0.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3021 -0.5311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3021 -0.5311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3021 -2.8244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3021 -2.8244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1597 -0.5312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1597 -0.5312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7940 -0.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7940 -0.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0411 -0.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0411 -0.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7118 -0.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7118 -0.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7118 0.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7118 0.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0411 0.7992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0411 0.7992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7940 0.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7940 0.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4642 0.7989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4642 0.7989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6073 2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6073 2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3851 1.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3851 1.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0552 0.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0552 0.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0463 0.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0463 0.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4513 0.7427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4513 0.7427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8430 1.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8430 1.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7685 3.0058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7685 3.0058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3851 2.5740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3851 2.5740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5833 0.4384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5833 0.4384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4642 -0.9392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4642 -0.9392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7310 -3.0058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7310 -3.0058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6847 1.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6847 1.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2984 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2984 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0414 0.7748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0414 0.7748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7888 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7888 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1753 1.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1753 1.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4322 1.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4322 1.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0824 1.0702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0824 1.0702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8707 1.4578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8707 1.4578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7593 1.0751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7593 1.0751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2421 0.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2421 0.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1597 0.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1597 0.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2882 2.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2882 2.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3706 1.5100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3706 1.5100 0.0000 O 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 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 1 12 1 0 0 0 0 | + | 1 12 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 13 9 1 0 0 0 0 | + | 13 9 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 6 23 1 0 0 0 0 | + | 6 23 1 0 0 0 0 |
| − | 15 29 1 0 0 0 0 | + | 15 29 1 0 0 0 0 |
| − | 3 30 1 0 0 0 0 | + | 3 30 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
| − | 35 34 1 1 0 0 0 | + | 35 34 1 1 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 31 1 0 0 0 0 | + | 36 31 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 36 38 1 0 0 0 0 | + | 36 38 1 0 0 0 0 |
| − | 35 39 1 0 0 0 0 | + | 35 39 1 0 0 0 0 |
| − | 32 19 1 0 0 0 0 | + | 32 19 1 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 34 40 1 0 0 0 0 | + | 34 40 1 0 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
| − | 25 42 1 0 0 0 0 | + | 25 42 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 40 41 | + | M SAL 1 2 40 41 |
| − | M SBL 1 1 45 | + | M SBL 1 1 45 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 45 -0.4532 -0.0343 | + | M SBV 1 45 -0.4532 -0.0343 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 42 43 | + | M SAL 2 2 42 43 |
| − | M SBL 2 1 47 | + | M SBL 2 1 47 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SBV 2 47 -0.5548 -0.5548 | + | M SBV 2 47 -0.5548 -0.5548 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FACDS0002 | + | ID FL3FACDS0002 |
| − | FORMULA C27H30O16 | + | FORMULA C27H30O16 |
| − | EXACTMASS 610.153384912 | + | EXACTMASS 610.153384912 |
| − | AVERAGEMASS 610.5175 | + | AVERAGEMASS 610.5175 |
| − | SMILES c(OC(O5)C(C(C(O)C(CO)5)O)O)(c1)c(cc(C(O2)=CC(=O)c(c(O)3)c(c(C(C(O)4)OC(C(O)C(O)4)CO)c(c3)O)2)c1)O | + | SMILES c(OC(O5)C(C(C(O)C(CO)5)O)O)(c1)c(cc(C(O2)=CC(=O)c(c(O)3)c(c(C(C(O)4)OC(C(O)C(O)4)CO)c(c3)O)2)c1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
-4.4455 -0.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4455 -1.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7310 -2.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0166 -1.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0166 -0.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7310 -0.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3021 -2.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5877 -1.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5877 -0.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3021 -0.5311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3021 -2.8244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1597 -0.5312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7940 -0.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0411 -0.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7118 -0.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7118 0.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0411 0.7992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7940 0.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4642 0.7989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6073 2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3851 1.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0552 0.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0463 0.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4513 0.7427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8430 1.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7685 3.0058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3851 2.5740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5833 0.4384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4642 -0.9392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7310 -3.0058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6847 1.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2984 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0414 0.7748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7888 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1753 1.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4322 1.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0824 1.0702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8707 1.4578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7593 1.0751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2421 0.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1597 0.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2882 2.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3706 1.5100 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 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
1 12 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
13 9 1 0 0 0 0
16 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
6 23 1 0 0 0 0
15 29 1 0 0 0 0
3 30 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
31 37 1 0 0 0 0
36 38 1 0 0 0 0
35 39 1 0 0 0 0
32 19 1 0 0 0 0
40 41 1 0 0 0 0
34 40 1 0 0 0 0
42 43 1 0 0 0 0
25 42 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 40 41
M SBL 1 1 45
M SMT 1 CH2OH
M SBV 1 45 -0.4532 -0.0343
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 42 43
M SBL 2 1 47
M SMT 2 CH2OH
M SBV 2 47 -0.5548 -0.5548
S SKP 5
ID FL3FACDS0002
FORMULA C27H30O16
EXACTMASS 610.153384912
AVERAGEMASS 610.5175
SMILES c(OC(O5)C(C(C(O)C(CO)5)O)O)(c1)c(cc(C(O2)=CC(=O)c(c(O)3)c(c(C(C(O)4)OC(C(O)C(O)4)CO)c(c3)O)2)c1)O
M END
