Mol:FL5FEGNS0004
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 |
| − | -1.0578 -1.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0578 -1.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6614 -1.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6614 -1.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1535 -1.6685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1535 -1.6685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0419 -2.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0419 -2.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4384 -2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4384 -2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9463 -2.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9463 -2.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5340 -2.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5340 -2.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4225 -3.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4225 -3.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8189 -3.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8189 -3.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3268 -3.1534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3268 -3.1534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0047 -2.5427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0047 -2.5427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7074 -4.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7074 -4.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2089 -4.6196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2089 -4.6196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0952 -5.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0952 -5.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4800 -5.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4800 -5.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9785 -5.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9785 -5.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0921 -4.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0921 -4.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5659 -1.0626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5659 -1.0626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7569 -1.4489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7569 -1.4489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3063 -6.4731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3063 -6.4731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5966 -5.6850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5966 -5.6850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2250 -0.6826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2250 -0.6826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9394 -1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9394 -1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5341 -5.5307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5341 -5.5307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1581 -6.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1581 -6.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1885 -3.9895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1885 -3.9895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9545 -4.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9545 -4.6323 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 16 24 1 0 0 0 0 | + | 16 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 8 26 1 0 0 0 0 | + | 8 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 0.5403 -0.9854 | + | M SVB 3 28 0.5403 -0.9854 |
| − | 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 1.7479 1.7424 | + | M SVB 2 26 1.7479 1.7424 |
| − | 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 -2.5983 -0.6877 | + | M SVB 1 24 -2.5983 -0.6877 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FEGNS0004 | + | ID FL5FEGNS0004 |
| − | KNApSAcK_ID C00004824 | + | KNApSAcK_ID C00004824 |
| − | NAME 5,7,3',4'-Tetrahydroxy-3,6,5'-trimethoxyflavone | + | NAME 5,7,3',4'-Tetrahydroxy-3,6,5'-trimethoxyflavone |
| − | CAS_RN 74517-68-3 | + | CAS_RN 74517-68-3 |
| − | FORMULA C18H16O9 | + | FORMULA C18H16O9 |
| − | EXACTMASS 376.07943210999997 | + | EXACTMASS 376.07943210999997 |
| − | AVERAGEMASS 376.31424 | + | AVERAGEMASS 376.31424 |
| − | SMILES c(c3OC)(O)cc(O1)c(c3O)C(C(=C1c(c2)cc(OC)c(O)c(O)2)OC)=O | + | SMILES c(c3OC)(O)cc(O1)c(c3O)C(C(=C1c(c2)cc(OC)c(O)c(O)2)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
-1.0578 -1.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6614 -1.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1535 -1.6685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0419 -2.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4384 -2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9463 -2.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5340 -2.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4225 -3.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8189 -3.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3268 -3.1534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0047 -2.5427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7074 -4.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2089 -4.6196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0952 -5.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4800 -5.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9785 -5.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0921 -4.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5659 -1.0626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7569 -1.4489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3063 -6.4731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5966 -5.6850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2250 -0.6826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9394 -1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5341 -5.5307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1581 -6.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1885 -3.9895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9545 -4.6323 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
14 21 1 0 0 0 0
2 22 1 0 0 0 0
22 23 1 0 0 0 0
16 24 1 0 0 0 0
24 25 1 0 0 0 0
8 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 0.5403 -0.9854
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 1.7479 1.7424
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 -2.5983 -0.6877
S SKP 8
ID FL5FEGNS0004
KNApSAcK_ID C00004824
NAME 5,7,3',4'-Tetrahydroxy-3,6,5'-trimethoxyflavone
CAS_RN 74517-68-3
FORMULA C18H16O9
EXACTMASS 376.07943210999997
AVERAGEMASS 376.31424
SMILES c(c3OC)(O)cc(O1)c(c3O)C(C(=C1c(c2)cc(OC)c(O)c(O)2)OC)=O
M END
