Mol:FL3FGGNS0011
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.2364 -1.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2364 -1.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8400 -1.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8400 -1.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3321 -1.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3321 -1.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2205 -2.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2205 -2.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6170 -2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6170 -2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1249 -2.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1249 -2.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7126 -2.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7126 -2.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6011 -3.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6011 -3.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9975 -3.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9975 -3.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5054 -3.1926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5054 -3.1926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1832 -2.5820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1832 -2.5820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8860 -4.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8860 -4.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3874 -4.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3874 -4.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2738 -5.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2738 -5.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6586 -5.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6586 -5.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1571 -5.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1571 -5.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2707 -4.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2707 -4.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5450 -6.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5450 -6.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7445 -1.1018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7445 -1.1018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5421 -5.3304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5421 -5.3304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9355 -1.4881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9355 -1.4881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0398 -5.9462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0398 -5.9462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8059 -6.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8059 -6.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6815 -2.6044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6815 -2.6044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0146 -3.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0146 -3.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4036 -0.7218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4036 -0.7218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1180 -1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1180 -1.1344 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 2 0 0 0 0 | + | 8 9 2 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 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 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 21 1 0 0 0 0 |
| − | 14 22 1 0 0 0 0 | + | 14 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 6 24 1 0 0 0 0 | + | 6 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 2 26 1 0 0 0 0 | + | 2 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 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 26 27 | + | M SAL 3 2 26 27 |
| − | M SBL 3 1 28 | + | M SBL 3 1 28 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 28 -2.7769 -0.7269 | + | M SVB 3 28 -2.7769 -0.7269 |
| − | 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 -1.2281 0.7182 | + | M SVB 2 26 -1.2281 0.7182 |
| − | 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 2.0624 -0.0612 | + | M SVB 1 24 2.0624 -0.0612 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FGGNS0011 | + | ID FL3FGGNS0011 |
| − | KNApSAcK_ID C00004083 | + | KNApSAcK_ID C00004083 |
| − | NAME 5,7,3',4'-Tetrahydroxy-6,8,5'-trimethoxyflavone | + | NAME 5,7,3',4'-Tetrahydroxy-6,8,5'-trimethoxyflavone |
| − | CAS_RN 147025-58-9 | + | CAS_RN 147025-58-9 |
| − | FORMULA C18H16O9 | + | FORMULA C18H16O9 |
| − | EXACTMASS 376.07943210999997 | + | EXACTMASS 376.07943210999997 |
| − | AVERAGEMASS 376.31424 | + | AVERAGEMASS 376.31424 |
| − | SMILES O(C(c(c3)cc(OC)c(O)c(O)3)=2)c(c1OC)c(C(=O)C2)c(c(c1O)OC)O | + | SMILES O(C(c(c3)cc(OC)c(O)c(O)3)=2)c(c1OC)c(C(=O)C2)c(c(c1O)OC)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-1.2364 -1.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8400 -1.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3321 -1.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2205 -2.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6170 -2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1249 -2.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7126 -2.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6011 -3.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9975 -3.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5054 -3.1926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1832 -2.5820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8860 -4.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3874 -4.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2738 -5.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6586 -5.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1571 -5.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2707 -4.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5450 -6.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7445 -1.1018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5421 -5.3304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9355 -1.4881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0398 -5.9462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8059 -6.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6815 -2.6044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0146 -3.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4036 -0.7218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1180 -1.1344 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 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 12 1 0 0 0 0
15 18 1 0 0 0 0
1 19 1 0 0 0 0
16 20 1 0 0 0 0
3 21 1 0 0 0 0
14 22 1 0 0 0 0
22 23 1 0 0 0 0
6 24 1 0 0 0 0
24 25 1 0 0 0 0
2 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 26 27
M SBL 3 1 28
M SMT 3 OCH3
M SVB 3 28 -2.7769 -0.7269
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 -1.2281 0.7182
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 2.0624 -0.0612
S SKP 8
ID FL3FGGNS0011
KNApSAcK_ID C00004083
NAME 5,7,3',4'-Tetrahydroxy-6,8,5'-trimethoxyflavone
CAS_RN 147025-58-9
FORMULA C18H16O9
EXACTMASS 376.07943210999997
AVERAGEMASS 376.31424
SMILES O(C(c(c3)cc(OC)c(O)c(O)3)=2)c(c1OC)c(C(=O)C2)c(c(c1O)OC)O
M END
