Mol:FL4DEANS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 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 |
| − | -2.2662 0.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2662 0.4005 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 | + | 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 |
| − | -2.4603 -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 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 8 19 1 1 0 0 0 | + | 8 19 1 1 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 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 22 23 | + | M SAL 1 2 22 23 |
| − | M SBL 1 1 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 24 -2.4603 -0.3182 | + | M SVB 1 24 -2.4603 -0.3182 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DEANS0002 | + | ID FL4DEANS0002 |
| − | KNApSAcK_ID C00008564 | + | KNApSAcK_ID C00008564 |
| − | NAME 3,5,7,4'-Tetrahydroxy-6-methoxyflavanone | + | NAME 3,5,7,4'-Tetrahydroxy-6-methoxyflavanone |
| − | CAS_RN 130926-73-7 | + | CAS_RN 130926-73-7 |
| − | FORMULA C16H14O7 | + | FORMULA C16H14O7 |
| − | EXACTMASS 318.073952802 | + | EXACTMASS 318.073952802 |
| − | AVERAGEMASS 318.27816 | + | AVERAGEMASS 318.27816 |
| − | SMILES COc(c(O)3)c(O)c(C(=O)1)c(c3)O[C@H](c(c2)ccc(O)c2)[C@@H](O)1 | + | SMILES COc(c(O)3)c(O)c(C(=O)1)c(c3)O[C@H](c(c2)ccc(O)c2)[C@@H](O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 25 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
-2.2662 0.4005 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
-1.2915 -1.1802 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
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
6 18 1 0 0 0 0
8 19 1 1 0 0 0
15 20 1 0 0 0 0
2 21 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 -2.4603 -0.3182
S SKP 8
ID FL4DEANS0002
KNApSAcK_ID C00008564
NAME 3,5,7,4'-Tetrahydroxy-6-methoxyflavanone
CAS_RN 130926-73-7
FORMULA C16H14O7
EXACTMASS 318.073952802
AVERAGEMASS 318.27816
SMILES COc(c(O)3)c(O)c(C(=O)1)c(c3)O[C@H](c(c2)ccc(O)c2)[C@@H](O)1
M END
