Mol:FL3FAADS0023
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 40 44 0 0 0 0 0 0 0 0999 V2000 | + | 40 44 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.7486 0.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7486 0.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7486 -0.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7486 -0.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0341 -1.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0341 -1.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6803 -0.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6803 -0.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6803 0.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6803 0.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0341 0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0341 0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3947 -1.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3947 -1.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1091 -0.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1091 -0.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1091 0.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1091 0.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3947 0.5192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3947 0.5192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3947 -1.7739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3947 -1.7739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0341 -1.9554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0341 -1.9554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9823 0.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9823 0.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7351 0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7351 0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4879 0.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4879 0.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4879 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4879 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7351 1.9554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7351 1.9554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9823 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9823 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2404 1.9551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2404 1.9551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4627 0.5191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4627 0.5191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6369 0.6629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6369 0.6629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9747 -0.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9747 -0.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3126 0.3186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3126 0.3186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4119 0.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4119 0.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0476 0.7955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0476 0.7955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7628 0.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7628 0.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2055 0.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2055 0.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6418 -0.0787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6418 -0.0787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8697 -0.1243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8697 -0.1243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6688 -0.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6688 -0.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0067 -1.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0067 -1.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3444 -1.1319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3444 -1.1319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4439 -1.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4439 -1.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0796 -0.6551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0796 -0.6551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7948 -0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7948 -0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6688 -0.2401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6688 -0.2401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7595 -1.5293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7595 -1.5293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9263 -1.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9263 -1.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2171 0.9053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2171 0.9053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2404 1.1795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2404 1.1795 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 |
| − | 3 12 1 0 0 0 0 | + | 3 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 |
| − | 9 13 1 0 0 0 0 | + | 9 13 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 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 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 20 1 0 0 0 0 | + | 24 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 |
| − | 30 36 1 0 0 0 0 | + | 30 36 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
| − | 33 2 1 0 0 0 0 | + | 33 2 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 26 39 1 0 0 0 0 | + | 26 39 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 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 0.4543 -0.4543 | + | M SBV 1 44 0.4543 -0.4543 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAADS0023 | + | ID FL3FAADS0023 |
| − | FORMULA C26H28O14 | + | FORMULA C26H28O14 |
| − | EXACTMASS 564.147905604 | + | EXACTMASS 564.147905604 |
| − | AVERAGEMASS 564.49212 | + | AVERAGEMASS 564.49212 |
| − | SMILES c(c1)(ccc(C(=C2)Oc(c3)c(c(O)c(C(O5)C(O)C(C(O)C5)O)c(OC(C4O)OC(C(O)C4O)CO)3)C2=O)c1)O | + | SMILES c(c1)(ccc(C(=C2)Oc(c3)c(c(O)c(C(O5)C(O)C(C(O)C5)O)c(OC(C4O)OC(C(O)C4O)CO)3)C2=O)c1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
40 44 0 0 0 0 0 0 0 0999 V2000
-0.7486 0.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7486 -0.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0341 -1.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6803 -0.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6803 0.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0341 0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3947 -1.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1091 -0.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1091 0.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3947 0.5192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3947 -1.7739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0341 -1.9554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9823 0.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7351 0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4879 0.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4879 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7351 1.9554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9823 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2404 1.9551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4627 0.5191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6369 0.6629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9747 -0.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3126 0.3186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4119 0.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0476 0.7955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7628 0.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2055 0.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6418 -0.0787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8697 -0.1243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6688 -0.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0067 -1.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3444 -1.1319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4439 -1.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0796 -0.6551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7948 -0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6688 -0.2401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7595 -1.5293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9263 -1.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2171 0.9053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2404 1.1795 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
3 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
9 13 1 0 0 0 0
16 19 1 0 0 0 0
1 20 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
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 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
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 2 1 0 0 0 0
39 40 1 0 0 0 0
26 39 1 0 0 0 0
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 0.4543 -0.4543
S SKP 5
ID FL3FAADS0023
FORMULA C26H28O14
EXACTMASS 564.147905604
AVERAGEMASS 564.49212
SMILES c(c1)(ccc(C(=C2)Oc(c3)c(c(O)c(C(O5)C(O)C(C(O)C5)O)c(OC(C4O)OC(C(O)C4O)CO)3)C2=O)c1)O
M END
