Mol:FL4DFCNS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2001 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2001 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6792 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6792 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1583 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1583 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1583 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1583 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6792 0.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6792 0.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2001 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2001 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6374 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6374 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1166 -0.7709 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.1166 -0.7709 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.1166 -0.1695 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.1166 -0.1695 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.6374 0.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6374 0.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4038 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4038 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6374 -1.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6374 -1.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9382 -0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9382 -0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4725 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4725 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4725 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4725 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9382 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9382 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4038 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4038 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7205 0.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7205 0.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9382 1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9382 1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6792 -1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6792 -1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2779 -0.9987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2779 -0.9987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0060 1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0060 1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7205 0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7205 0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4190 0.6940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4190 0.6940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9993 1.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9993 1.6017 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 0 0 0 0 | + | 9 11 1 0 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 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 5 24 1 0 0 0 0 | + | 5 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 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 24 25 | + | M SAL 2 2 24 25 |
| − | M SBL 2 1 26 | + | M SBL 2 1 26 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 26 -1.419 0.694 | + | M SVB 2 26 -1.419 0.694 |
| − | 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 2.006 1.056 | + | M SVB 1 24 2.006 1.056 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DFCNS0002 | + | ID FL4DFCNS0002 |
| − | KNApSAcK_ID C00008589 | + | KNApSAcK_ID C00008589 |
| − | NAME 3,5,7,3'-Tetrahydroxy-8,4'-dimethoxyflavanone | + | NAME 3,5,7,3'-Tetrahydroxy-8,4'-dimethoxyflavanone |
| − | CAS_RN 111514-43-3 | + | CAS_RN 111514-43-3 |
| − | FORMULA C17H16O8 | + | FORMULA C17H16O8 |
| − | EXACTMASS 348.08451748799996 | + | EXACTMASS 348.08451748799996 |
| − | AVERAGEMASS 348.30413999999996 | + | AVERAGEMASS 348.30413999999996 |
| − | SMILES COc(c3)c(O)cc(c3)C(O1)C(O)C(=O)c(c(O)2)c1c(OC)c(O)c2 | + | SMILES COc(c3)c(O)cc(c3)C(O1)C(O)C(=O)c(c(O)2)c1c(OC)c(O)c2 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-2.2001 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6792 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1583 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1583 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6792 0.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2001 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6374 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1166 -0.7709 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.1166 -0.1695 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.6374 0.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4038 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6374 -1.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9382 -0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4725 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4725 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9382 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4038 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7205 0.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9382 1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6792 -1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2779 -0.9987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0060 1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7205 0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4190 0.6940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9993 1.6017 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 0 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
16 19 1 0 0 0 0
2 20 1 0 0 0 0
8 21 1 0 0 0 0
15 22 1 0 0 0 0
22 23 1 0 0 0 0
5 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 24 25
M SBL 2 1 26
M SMT 2 OCH3
M SVB 2 26 -1.419 0.694
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 2.006 1.056
S SKP 8
ID FL4DFCNS0002
KNApSAcK_ID C00008589
NAME 3,5,7,3'-Tetrahydroxy-8,4'-dimethoxyflavanone
CAS_RN 111514-43-3
FORMULA C17H16O8
EXACTMASS 348.08451748799996
AVERAGEMASS 348.30413999999996
SMILES COc(c3)c(O)cc(c3)C(O1)C(O)C(=O)c(c(O)2)c1c(OC)c(O)c2
M END
