Mol:FL3FABGS0009
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 45 49 0 0 0 0 0 0 0 0999 V2000 | + | 45 49 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.4042 -1.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4042 -1.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4042 -2.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4042 -2.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2966 -2.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2966 -2.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9976 -2.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9976 -2.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9976 -1.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9976 -1.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2966 -1.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2966 -1.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6984 -2.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6984 -2.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3994 -2.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3994 -2.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3994 -1.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3994 -1.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6984 -1.0606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6984 -1.0606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6984 -3.3104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6984 -3.3104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1001 -1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1001 -1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8145 -1.4731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8145 -1.4731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5290 -1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5290 -1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5290 -0.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5290 -0.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8145 0.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8145 0.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1001 -0.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1001 -0.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1049 -1.0607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1049 -1.0607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2966 -3.3109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2966 -3.3109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1839 -0.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1839 -0.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5428 -1.7914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5428 -1.7914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6198 -1.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6198 -1.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7292 -1.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7292 -1.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3764 -0.7754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3764 -0.7754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1839 -1.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1839 -1.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5365 -0.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5365 -0.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8225 -1.2939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8225 -1.2939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2107 -1.8207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2107 -1.8207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9246 -2.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9246 -2.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.6950 -0.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6950 -0.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9140 -0.7889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9140 -0.7889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1618 0.0782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1618 0.0782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9140 0.9506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9140 0.9506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.6950 1.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6950 1.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.4472 0.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.4472 0.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2244 -0.6156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2244 -0.6156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2366 2.0016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2366 2.0016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9140 1.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9140 1.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.0452 0.9482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.0452 0.9482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.3534 -0.3718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.3534 -0.3718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.6590 2.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6590 2.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.2960 2.7006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.2960 2.7006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3069 3.3109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3069 3.3109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2430 0.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2430 0.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3534 -0.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3534 -0.4645 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 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 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 19 3 1 0 0 0 0 | + | 19 3 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 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 20 27 1 0 0 0 0 | + | 20 27 1 0 0 0 0 |
| − | 21 28 1 0 0 0 0 | + | 21 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 31 30 1 1 0 0 0 | + | 31 30 1 1 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 35 30 1 1 0 0 0 | + | 35 30 1 1 0 0 0 |
| − | 31 36 1 0 0 0 0 | + | 31 36 1 0 0 0 0 |
| − | 36 26 1 0 0 0 0 | + | 36 26 1 0 0 0 0 |
| − | 34 37 1 0 0 0 0 | + | 34 37 1 0 0 0 0 |
| − | 33 38 1 0 0 0 0 | + | 33 38 1 0 0 0 0 |
| − | 35 39 1 0 0 0 0 | + | 35 39 1 0 0 0 0 |
| − | 30 40 1 0 0 0 0 | + | 30 40 1 0 0 0 0 |
| − | 23 18 1 0 0 0 0 | + | 23 18 1 0 0 0 0 |
| − | 37 41 1 0 0 0 0 | + | 37 41 1 0 0 0 0 |
| − | 41 42 2 0 0 0 0 | + | 41 42 2 0 0 0 0 |
| − | 41 43 1 0 0 0 0 | + | 41 43 1 0 0 0 0 |
| − | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
| − | 15 44 1 0 0 0 0 | + | 15 44 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 44 45 | + | M SAL 1 2 44 45 |
| − | M SBL 1 1 49 | + | M SBL 1 1 49 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 49 -0.7140 -0.4124 | + | M SBV 1 49 -0.7140 -0.4124 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FABGS0009 | + | ID FL3FABGS0009 |
| − | FORMULA C30H34O15 | + | FORMULA C30H34O15 |
| − | EXACTMASS 634.189770418 | + | EXACTMASS 634.189770418 |
| − | AVERAGEMASS 634.58196 | + | AVERAGEMASS 634.58196 |
| − | SMILES C(O)(C(COC(C(O)5)OC(C)C(OC(C)=O)C5O)4)C(C(C(O4)Oc(c1)cc(O2)c(C(C=C2c(c3)ccc(c3)OC)=O)c1O)O)O | + | SMILES C(O)(C(COC(C(O)5)OC(C)C(OC(C)=O)C5O)4)C(C(C(O4)Oc(c1)cc(O2)c(C(C=C2c(c3)ccc(c3)OC)=O)c1O)O)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
-0.4042 -1.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4042 -2.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2966 -2.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9976 -2.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9976 -1.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2966 -1.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6984 -2.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3994 -2.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3994 -1.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6984 -1.0606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6984 -3.3104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1001 -1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8145 -1.4731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5290 -1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5290 -0.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8145 0.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1001 -0.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1049 -1.0607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2966 -3.3109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1839 -0.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5428 -1.7914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6198 -1.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7292 -1.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3764 -0.7754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1839 -1.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5365 -0.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8225 -1.2939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2107 -1.8207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9246 -2.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6950 -0.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9140 -0.7889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1618 0.0782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9140 0.9506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6950 1.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4472 0.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2244 -0.6156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2366 2.0016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9140 1.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0452 0.9482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.3534 -0.3718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6590 2.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2960 2.7006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3069 3.3109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2430 0.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3534 -0.4645 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 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
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
1 18 1 0 0 0 0
19 3 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
25 26 1 0 0 0 0
20 27 1 0 0 0 0
21 28 1 0 0 0 0
22 29 1 0 0 0 0
31 30 1 1 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
35 30 1 1 0 0 0
31 36 1 0 0 0 0
36 26 1 0 0 0 0
34 37 1 0 0 0 0
33 38 1 0 0 0 0
35 39 1 0 0 0 0
30 40 1 0 0 0 0
23 18 1 0 0 0 0
37 41 1 0 0 0 0
41 42 2 0 0 0 0
41 43 1 0 0 0 0
44 45 1 0 0 0 0
15 44 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 44 45
M SBL 1 1 49
M SMT 1 OCH3
M SBV 1 49 -0.7140 -0.4124
S SKP 5
ID FL3FABGS0009
FORMULA C30H34O15
EXACTMASS 634.189770418
AVERAGEMASS 634.58196
SMILES C(O)(C(COC(C(O)5)OC(C)C(OC(C)=O)C5O)4)C(C(C(O4)Oc(c1)cc(O2)c(C(C=C2c(c3)ccc(c3)OC)=O)c1O)O)O
M END
