Mol:FL5FG9NS0007
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 30 0 0 0 0 0 0 0 0999 V2000 | + | 28 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.2331 -1.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2331 -1.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6872 -1.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6872 -1.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3077 -1.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3077 -1.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4740 -2.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4740 -2.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0198 -2.5990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0198 -2.5990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3993 -2.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3993 -2.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0945 -2.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0945 -2.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2607 -2.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2607 -2.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8065 -3.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8065 -3.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1860 -3.2195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1860 -3.2195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4486 -1.9569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4486 -1.9569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9727 -4.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9727 -4.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6051 -4.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6051 -4.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7745 -4.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7745 -4.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3115 -5.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3115 -5.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6792 -5.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6792 -5.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5097 -4.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5097 -4.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7618 -1.0703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7618 -1.0703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2266 -3.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2266 -3.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1925 -3.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1925 -3.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4722 -5.7090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4722 -5.7090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2691 -5.9226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2691 -5.9226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5429 -1.9972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5429 -1.9972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4231 -2.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4231 -2.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0495 -1.0232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0495 -1.0232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8714 -1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8714 -1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1907 -3.0345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1907 -3.0345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8632 -3.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8632 -3.9794 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 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 |
| − | 2 25 1 0 0 0 0 | + | 2 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 6 27 1 0 0 0 0 | + | 6 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | M STY 1 5 SUP | + | M STY 1 5 SUP |
| − | M SLB 1 5 5 | + | M SLB 1 5 5 |
| − | M SAL 5 2 27 28 | + | M SAL 5 2 27 28 |
| − | M SBL 5 1 29 | + | M SBL 5 1 29 |
| − | M SMT 5 OCH3 | + | M SMT 5 OCH3 |
| − | M SVB 5 29 -0.9815 0.7574 | + | M SVB 5 29 -0.9815 0.7574 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 25 26 | + | M SAL 4 2 25 26 |
| − | M SBL 4 1 27 | + | M SBL 4 1 27 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 27 -2.5303 -0.6877 | + | M SVB 4 27 -2.5303 -0.6877 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 23 24 | + | M SAL 3 2 23 24 |
| − | M SBL 3 1 25 | + | M SBL 3 1 25 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 25 -2.1731 0.482 | + | M SVB 3 25 -2.1731 0.482 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 21 22 | + | M SAL 2 2 21 22 |
| − | M SBL 2 1 23 | + | M SBL 2 1 23 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 23 1.8158 1.7424 | + | M SVB 2 23 1.8158 1.7424 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 19 20 | + | M SAL 1 2 19 20 |
| − | M SBL 1 1 21 | + | M SBL 1 1 21 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 21 0.6082 -0.9854 | + | M SVB 1 21 0.6082 -0.9854 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FG9NS0007 | + | ID FL5FG9NS0007 |
| − | KNApSAcK_ID C00004665 | + | KNApSAcK_ID C00004665 |
| − | NAME Emmaosunin | + | NAME Emmaosunin |
| − | CAS_RN 53950-57-5 | + | CAS_RN 53950-57-5 |
| − | FORMULA C20H20O8 | + | FORMULA C20H20O8 |
| − | EXACTMASS 388.11581761599996 | + | EXACTMASS 388.11581761599996 |
| − | AVERAGEMASS 388.368 | + | AVERAGEMASS 388.368 |
| − | SMILES O(C)c(c21)c(c(c(c1C(C(=C(c(c3)cc(OC)cc3)O2)OC)=O)O)OC)OC | + | SMILES O(C)c(c21)c(c(c(c1C(C(=C(c(c3)cc(OC)cc3)O2)OC)=O)O)OC)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 30 0 0 0 0 0 0 0 0999 V2000
-1.2331 -1.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6872 -1.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3077 -1.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4740 -2.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0198 -2.5990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3993 -2.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0945 -2.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2607 -2.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8065 -3.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1860 -3.2195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4486 -1.9569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9727 -4.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6051 -4.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7745 -4.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3115 -5.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6792 -5.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5097 -4.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7618 -1.0703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2266 -3.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1925 -3.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4722 -5.7090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2691 -5.9226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5429 -1.9972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4231 -2.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0495 -1.0232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8714 -1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1907 -3.0345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8632 -3.9794 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
3 18 1 0 0 0 0
8 19 1 0 0 0 0
19 20 1 0 0 0 0
16 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
2 25 1 0 0 0 0
25 26 1 0 0 0 0
6 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 5 SUP
M SLB 1 5 5
M SAL 5 2 27 28
M SBL 5 1 29
M SMT 5 OCH3
M SVB 5 29 -0.9815 0.7574
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 25 26
M SBL 4 1 27
M SMT 4 OCH3
M SVB 4 27 -2.5303 -0.6877
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 23 24
M SBL 3 1 25
M SMT 3 OCH3
M SVB 3 25 -2.1731 0.482
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 23
M SMT 2 OCH3
M SVB 2 23 1.8158 1.7424
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 0.6082 -0.9854
S SKP 8
ID FL5FG9NS0007
KNApSAcK_ID C00004665
NAME Emmaosunin
CAS_RN 53950-57-5
FORMULA C20H20O8
EXACTMASS 388.11581761599996
AVERAGEMASS 388.368
SMILES O(C)c(c21)c(c(c(c1C(C(=C(c(c3)cc(OC)cc3)O2)OC)=O)O)OC)OC
M END
