Mol:FL4DEANS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7458 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7458 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2249 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2249 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7040 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7040 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7040 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7040 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2249 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2249 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7458 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7458 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1832 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1832 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3377 -0.5014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.3377 -0.5014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 0.3377 0.1001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.3377 0.1001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -0.1832 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1832 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8581 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8581 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1832 -1.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1832 -1.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3925 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3925 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9268 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9268 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9268 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9268 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3925 1.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3925 1.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8581 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8581 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7691 -0.9328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7691 -0.9328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4603 1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4603 1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2915 -1.1802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2915 -1.1802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1030 0.7188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1030 0.7188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6030 1.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6030 1.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4603 -0.3182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4603 -0.3182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4290 -0.0698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4290 -0.0698 0.0000 C 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 |
| − | 2 3 1 0 0 0 0 | + | 2 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 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 8 18 1 1 0 0 0 | + | 8 18 1 1 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 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 |
| − | 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 25 | + | M SBL 2 1 25 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 25 -2.4603 -0.3182 | + | M SVB 2 25 -2.4603 -0.3182 |
| − | 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 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 23 -2.103 0.7188 | + | M SVB 1 23 -2.103 0.7188 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DEANS0003 | + | ID FL4DEANS0003 |
| − | KNApSAcK_ID C00008565 | + | KNApSAcK_ID C00008565 |
| − | NAME 3,5,4'-Trihydroxy-6,7-dimethoxyflavanone | + | NAME 3,5,4'-Trihydroxy-6,7-dimethoxyflavanone |
| − | CAS_RN 75457-73-1 | + | CAS_RN 75457-73-1 |
| − | FORMULA C17H16O7 | + | FORMULA C17H16O7 |
| − | EXACTMASS 332.089602866 | + | EXACTMASS 332.089602866 |
| − | AVERAGEMASS 332.30474 | + | AVERAGEMASS 332.30474 |
| − | SMILES COc(c1)c(OC)c(O)c(C(=O)2)c1O[C@H](c(c3)ccc(O)c3)[C@@H](O)2 | + | SMILES COc(c1)c(OC)c(O)c(C(=O)2)c1O[C@H](c(c3)ccc(O)c3)[C@@H](O)2 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-1.7458 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2249 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7040 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7040 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2249 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7458 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1832 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3377 -0.5014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.3377 0.1001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.1832 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8581 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1832 -1.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3925 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9268 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9268 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3925 1.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8581 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7691 -0.9328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4603 1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2915 -1.1802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1030 0.7188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6030 1.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4603 -0.3182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4290 -0.0698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 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 1 1 0 0 0 0
3 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 4 1 0 0 0 0
9 11 1 6 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
8 18 1 1 0 0 0
15 19 1 0 0 0 0
2 20 1 0 0 0 0
6 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
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 25
M SMT 2 OCH3
M SVB 2 25 -2.4603 -0.3182
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 -2.103 0.7188
S SKP 8
ID FL4DEANS0003
KNApSAcK_ID C00008565
NAME 3,5,4'-Trihydroxy-6,7-dimethoxyflavanone
CAS_RN 75457-73-1
FORMULA C17H16O7
EXACTMASS 332.089602866
AVERAGEMASS 332.30474
SMILES COc(c1)c(OC)c(O)c(C(=O)2)c1O[C@H](c(c3)ccc(O)c3)[C@@H](O)2
M END
