Mol:FL2FDENM0001
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 |
| − | -2.0977 -0.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0977 -0.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0977 -0.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0977 -0.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5414 -1.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5414 -1.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9851 -0.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9851 -0.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9851 -0.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9851 -0.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5414 0.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5414 0.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4288 -1.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4288 -1.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1275 -0.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1275 -0.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1275 -0.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1275 -0.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4288 0.1820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4288 0.1820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6836 0.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6836 0.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2505 -0.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2505 -0.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8175 0.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8175 0.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8175 0.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8175 0.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2505 1.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2505 1.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6836 0.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6836 0.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4288 -1.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4288 -1.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2505 1.6758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2505 1.6758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5414 0.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5414 0.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2430 1.0822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2430 1.0822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9575 0.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9575 0.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9779 -1.2633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9779 -1.2633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2634 -1.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2634 -1.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1606 0.2310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1606 0.2310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9575 0.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9575 0.4445 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 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 3 22 1 0 0 0 0 | + | 3 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 1 24 1 0 0 0 0 | + | 1 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 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 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 22 -7.4225 6.5208 | + | M SBV 1 22 -7.4225 6.5208 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 24 | + | M SBL 2 1 24 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 24 -8.2844 6.1146 | + | M SBV 2 24 -8.2844 6.1146 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 24 25 | + | M SAL 3 2 24 25 |
| − | M SBL 3 1 26 | + | M SBL 3 1 26 |
| − | M SMT 3 ^OCH3 | + | M SMT 3 ^OCH3 |
| − | M SBV 3 26 -7.9108 6.6453 | + | M SBV 3 26 -7.9108 6.6453 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FDENM0001 | + | ID FL2FDENM0001 |
| − | KNApSAcK_ID C00008314 | + | KNApSAcK_ID C00008314 |
| − | NAME 3'-Hydroxy-5,7,4'-trimethoxy-8-C-methylflavanone | + | NAME 3'-Hydroxy-5,7,4'-trimethoxy-8-C-methylflavanone |
| − | CAS_RN 86890-96-2 | + | CAS_RN 86890-96-2 |
| − | FORMULA C19H20O6 | + | FORMULA C19H20O6 |
| − | EXACTMASS 344.125988372 | + | EXACTMASS 344.125988372 |
| − | AVERAGEMASS 344.3585 | + | AVERAGEMASS 344.3585 |
| − | SMILES c(c1C)(OC)cc(c(C(=O)2)c(OC(c(c3)cc(O)c(OC)c3)C2)1)OC | + | SMILES c(c1C)(OC)cc(c(C(=O)2)c(OC(c(c3)cc(O)c(OC)c3)C2)1)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/
25 27 0 0 0 0 0 0 0 0999 V2000
-2.0977 -0.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0977 -0.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5414 -1.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9851 -0.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9851 -0.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5414 0.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4288 -1.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1275 -0.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1275 -0.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4288 0.1820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6836 0.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2505 -0.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8175 0.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8175 0.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2505 1.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6836 0.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4288 -1.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2505 1.6758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5414 0.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2430 1.0822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9575 0.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9779 -1.2633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2634 -1.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1606 0.2310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9575 0.4445 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
15 18 1 0 0 0 0
6 19 1 0 0 0 0
14 20 1 0 0 0 0
20 21 1 0 0 0 0
3 22 1 0 0 0 0
22 23 1 0 0 0 0
1 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SBV 1 22 -7.4225 6.5208
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SBV 2 24 -8.2844 6.1146
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 24 25
M SBL 3 1 26
M SMT 3 ^OCH3
M SBV 3 26 -7.9108 6.6453
S SKP 8
ID FL2FDENM0001
KNApSAcK_ID C00008314
NAME 3'-Hydroxy-5,7,4'-trimethoxy-8-C-methylflavanone
CAS_RN 86890-96-2
FORMULA C19H20O6
EXACTMASS 344.125988372
AVERAGEMASS 344.3585
SMILES c(c1C)(OC)cc(c(C(=O)2)c(OC(c(c3)cc(O)c(OC)c3)C2)1)OC
M END
