Mol:FL2FEGNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 31 0 0 0 0 0 0 0 0999 V2000 | + | 28 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1041 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1041 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1041 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1041 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5478 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5478 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9915 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9915 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9915 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9915 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5478 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5478 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4352 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4352 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1211 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1211 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1211 -0.1713 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.1211 -0.1713 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.4352 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4352 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6772 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6772 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2442 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2442 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8111 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8111 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8111 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8111 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2442 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2442 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6772 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6772 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4352 -1.6786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4352 -1.6786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4338 -0.0526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4338 -0.0526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8186 0.4771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8186 0.4771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4338 1.0067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4338 1.0067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5478 -2.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5478 -2.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5478 -3.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5478 -3.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4614 0.4474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4614 0.4474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9615 1.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9615 1.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9850 1.7192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9850 1.7192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7602 2.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7602 2.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8186 -0.7222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8186 -0.7222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8105 -0.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8105 -0.5952 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 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 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 14 1 0 0 0 0 | + | 20 14 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 1 23 1 0 0 0 0 | + | 1 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 15 25 1 0 0 0 0 | + | 15 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 2 27 1 0 0 0 0 | + | 2 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 27 28 | + | M SAL 4 2 27 28 |
| − | M SBL 4 1 30 | + | M SBL 4 1 30 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 30 -2.8186 -0.7222 | + | M SVB 4 30 -2.8186 -0.7222 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 25 26 | + | M SAL 3 2 25 26 |
| − | M SBL 3 1 28 | + | M SBL 3 1 28 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 28 1.5276 1.7079 | + | M SVB 3 28 1.5276 1.7079 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 23 24 | + | M SAL 2 2 23 24 |
| − | M SBL 2 1 26 | + | M SBL 2 1 26 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 26 -2.4614 0.4474 | + | M SVB 2 26 -2.4614 0.4474 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 24 -1.9842 -1.2954 | + | M SVB 1 24 -1.9842 -1.2954 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FEGNS0001 | + | ID FL2FEGNS0001 |
| − | KNApSAcK_ID C00008346 | + | KNApSAcK_ID C00008346 |
| − | NAME Agecorynin A | + | NAME Agecorynin A |
| − | CAS_RN 77053-46-4 | + | CAS_RN 77053-46-4 |
| − | FORMULA C20H20O8 | + | FORMULA C20H20O8 |
| − | EXACTMASS 388.11581761599996 | + | EXACTMASS 388.11581761599996 |
| − | AVERAGEMASS 388.368 | + | AVERAGEMASS 388.368 |
| − | SMILES c(C(=O)1)(c4OC)c(cc(c4OC)OC)OC(c(c2)cc(O3)c(OC3)c2OC)C1 | + | SMILES c(C(=O)1)(c4OC)c(cc(c4OC)OC)OC(c(c2)cc(O3)c(OC3)c2OC)C1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 31 0 0 0 0 0 0 0 0999 V2000
-2.1041 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1041 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5478 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9915 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9915 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5478 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4352 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1211 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1211 -0.1713 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.4352 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6772 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2442 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8111 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8111 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2442 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6772 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4352 -1.6786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4338 -0.0526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8186 0.4771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4338 1.0067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5478 -2.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5478 -3.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4614 0.4474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9615 1.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9850 1.7192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7602 2.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8186 -0.7222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8105 -0.5952 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 1 0 0 0 0
9 10 1 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
7 17 2 0 0 0 0
13 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 14 1 0 0 0 0
3 21 1 0 0 0 0
21 22 1 0 0 0 0
1 23 1 0 0 0 0
23 24 1 0 0 0 0
15 25 1 0 0 0 0
25 26 1 0 0 0 0
2 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 27 28
M SBL 4 1 30
M SMT 4 OCH3
M SVB 4 30 -2.8186 -0.7222
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 25 26
M SBL 3 1 28
M SMT 3 OCH3
M SVB 3 28 1.5276 1.7079
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 26
M SMT 2 OCH3
M SVB 2 26 -2.4614 0.4474
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 -1.9842 -1.2954
S SKP 8
ID FL2FEGNS0001
KNApSAcK_ID C00008346
NAME Agecorynin A
CAS_RN 77053-46-4
FORMULA C20H20O8
EXACTMASS 388.11581761599996
AVERAGEMASS 388.368
SMILES c(C(=O)1)(c4OC)c(cc(c4OC)OC)OC(c(c2)cc(O3)c(OC3)c2OC)C1
M END
