Mol:FL4DACGS0030
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 42 46 0 0 0 0 0 0 0 0999 V2000 | + | 42 46 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8908 2.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8908 2.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1707 2.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1707 2.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8996 1.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8996 1.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1867 0.8011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1867 0.8011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4712 1.2039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4712 1.2039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4599 2.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4599 2.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2419 0.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2419 0.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9600 1.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9600 1.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9668 2.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9668 2.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2602 2.4315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2602 2.4315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7051 2.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7051 2.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7140 3.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7140 3.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4332 3.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4332 3.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1415 3.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1415 3.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1352 2.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1352 2.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4152 2.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4152 2.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2270 -0.0433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2270 -0.0433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5991 2.4640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5991 2.4640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7942 0.5419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7942 0.5419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8253 2.0197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8253 2.0197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8111 3.6278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8111 3.6278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3773 -0.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3773 -0.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0354 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0354 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7581 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7581 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5564 -1.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5564 -1.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9692 -0.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9692 -0.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1756 -0.5570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1756 -0.5570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5517 -1.7223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5517 -1.7223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1815 -1.4610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1815 -1.4610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4492 -0.9329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4492 -0.9329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3367 -0.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3367 -0.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1156 -2.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1156 -2.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4667 -2.8145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4667 -2.8145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9395 -2.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9395 -2.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3514 -2.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3514 -2.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1753 -2.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1753 -2.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5878 -2.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5878 -2.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4128 -2.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4128 -2.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8253 -2.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8253 -2.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4128 -3.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4128 -3.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5878 -3.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5878 -3.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1867 0.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1867 0.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 1 3 1 0 0 0 0 | + | 1 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 6 1 0 0 0 0 | + | 10 6 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 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 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 24 29 1 0 0 0 0 | + | 24 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 22 31 1 0 0 0 0 | + | 22 31 1 0 0 0 0 |
| − | 26 19 1 0 0 0 0 | + | 26 19 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 2 0 0 0 0 | + | 36 37 2 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 39 2 0 0 0 0 | + | 38 39 2 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 40 41 2 0 0 0 0 | + | 40 41 2 0 0 0 0 |
| − | 41 36 1 0 0 0 0 | + | 41 36 1 0 0 0 0 |
| − | 29 32 1 0 0 0 0 | + | 29 32 1 0 0 0 0 |
| − | 4 42 1 0 0 0 0 | + | 4 42 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL4DACGS0030 | + | ID FL4DACGS0030 |
| − | FORMULA C30H28O12 | + | FORMULA C30H28O12 |
| − | EXACTMASS 580.15807636 | + | EXACTMASS 580.15807636 |
| − | AVERAGEMASS 580.53612 | + | AVERAGEMASS 580.53612 |
| − | SMILES C(O1)(OC(C(=O)5)C(Oc(c54)cc(O)cc4O)c(c3)ccc(O)c3O)C(O)C(OC(C=Cc(c2)cccc2)=O)C(O)C(C)1 | + | SMILES C(O1)(OC(C(=O)5)C(Oc(c54)cc(O)cc4O)c(c3)ccc(O)c3O)C(O)C(OC(C=Cc(c2)cccc2)=O)C(O)C(C)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-1.8908 2.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1707 2.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8996 1.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1867 0.8011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4712 1.2039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4599 2.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2419 0.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9600 1.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9668 2.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2602 2.4315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7051 2.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7140 3.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4332 3.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1415 3.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1352 2.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4152 2.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2270 -0.0433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5991 2.4640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7942 0.5419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8253 2.0197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8111 3.6278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3773 -0.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0354 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7581 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5564 -1.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9692 -0.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1756 -0.5570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5517 -1.7223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1815 -1.4610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4492 -0.9329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3367 -0.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1156 -2.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4667 -2.8145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9395 -2.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3514 -2.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1753 -2.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5878 -2.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4128 -2.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8253 -2.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4128 -3.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5878 -3.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1867 0.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 2 1 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 6 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
7 17 2 0 0 0 0
1 18 1 0 0 0 0
8 19 1 0 0 0 0
15 20 1 0 0 0 0
14 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
25 28 1 0 0 0 0
24 29 1 0 0 0 0
23 30 1 0 0 0 0
22 31 1 0 0 0 0
26 19 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
37 38 1 0 0 0 0
38 39 2 0 0 0 0
39 40 1 0 0 0 0
40 41 2 0 0 0 0
41 36 1 0 0 0 0
29 32 1 0 0 0 0
4 42 1 0 0 0 0
S SKP 5
ID FL4DACGS0030
FORMULA C30H28O12
EXACTMASS 580.15807636
AVERAGEMASS 580.53612
SMILES C(O1)(OC(C(=O)5)C(Oc(c54)cc(O)cc4O)c(c3)ccc(O)c3O)C(O)C(OC(C=Cc(c2)cccc2)=O)C(O)C(C)1
M END
