Mol:FL2FEANS0005
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 |
| − | -1.4150 -1.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4150 -1.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0187 -0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0187 -0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5108 -1.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5108 -1.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3992 -2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3992 -2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7955 -2.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7955 -2.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3034 -1.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3034 -1.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8913 -2.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8913 -2.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7797 -3.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7797 -3.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1761 -3.2782 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.1761 -3.2782 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -1.6840 -2.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6840 -2.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0646 -3.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0646 -3.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5661 -4.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5661 -4.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4524 -4.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4524 -4.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8372 -5.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8372 -5.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3356 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3356 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4494 -4.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4494 -4.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4022 -2.2399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4022 -2.2399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1141 -1.1608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1141 -1.1608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7235 -5.8446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7235 -5.8446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3555 -6.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3555 -6.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5822 -0.3945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5822 -0.3945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2966 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2966 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6966 -1.0808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6966 -1.0808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2926 -0.9343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2926 -0.9343 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 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 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 -2.5867 0.79 | + | M SVB 3 25 -2.5867 0.79 |
| − | 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 -2.9555 -0.3996 | + | M SVB 2 23 -2.9555 -0.3996 |
| − | 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 2.241 1.4543 | + | M SVB 1 21 2.241 1.4543 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FEANS0005 | + | ID FL2FEANS0005 |
| − | KNApSAcK_ID C00008253 | + | KNApSAcK_ID C00008253 |
| − | NAME 5-Hydroxy-6,7,4'-trimethoxyflavanone | + | NAME 5-Hydroxy-6,7,4'-trimethoxyflavanone |
| − | CAS_RN 75933-05-0 | + | CAS_RN 75933-05-0 |
| − | FORMULA C18H18O6 | + | FORMULA C18H18O6 |
| − | EXACTMASS 330.110338308 | + | EXACTMASS 330.110338308 |
| − | AVERAGEMASS 330.33191999999997 | + | AVERAGEMASS 330.33191999999997 |
| − | SMILES O(C(c(c3)ccc(OC)c3)2)c(c(C(=O)C2)1)cc(c(c1O)OC)OC | + | SMILES O(C(c(c3)ccc(OC)c3)2)c(c(C(=O)C2)1)cc(c(c1O)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/
24 26 0 0 0 0 0 0 0 0999 V2000
-1.4150 -1.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0187 -0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5108 -1.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3992 -2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7955 -2.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3034 -1.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8913 -2.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7797 -3.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1761 -3.2782 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.6840 -2.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0646 -3.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5661 -4.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4524 -4.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8372 -5.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3356 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4494 -4.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4022 -2.2399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1141 -1.1608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7235 -5.8446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3555 -6.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5822 -0.3945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2966 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6966 -1.0808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2926 -0.9343 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
3 18 1 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
2 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 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 -2.5867 0.79
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 -2.9555 -0.3996
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 2.241 1.4543
S SKP 8
ID FL2FEANS0005
KNApSAcK_ID C00008253
NAME 5-Hydroxy-6,7,4'-trimethoxyflavanone
CAS_RN 75933-05-0
FORMULA C18H18O6
EXACTMASS 330.110338308
AVERAGEMASS 330.33191999999997
SMILES O(C(c(c3)ccc(OC)c3)2)c(c(C(=O)C2)1)cc(c(c1O)OC)OC
M END
