Mol:FL5F2ANP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 31 0 0 0 0 0 0 0 0999 V2000 | + | 28 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5908 -0.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5908 -0.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9703 -0.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9703 -0.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5160 -0.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5160 -0.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6823 0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6823 0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3028 0.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3028 0.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7569 -0.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7569 -0.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2281 0.6485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2281 0.6485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3943 1.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3943 1.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0148 1.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0148 1.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4690 0.9810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4690 0.9810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7443 0.5189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7443 0.5189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1810 2.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1810 2.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7181 2.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7181 2.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8875 3.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8875 3.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5199 3.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5199 3.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9829 2.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9829 2.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8134 2.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8134 2.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3775 0.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3775 0.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8317 -0.3816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8317 -0.3816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6654 -1.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6654 -1.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0449 -1.1684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0449 -1.1684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2241 -1.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2241 -1.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6655 -1.6290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6655 -1.6290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6893 3.9525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6893 3.9525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6872 1.9761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6872 1.9761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0199 2.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0199 2.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2435 -1.5469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2435 -1.5469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6601 -0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6601 -0.9635 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 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 1 1 0 0 0 0 | + | 21 1 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 15 24 1 0 0 0 0 | + | 15 24 1 0 0 0 0 |
| − | 8 25 1 0 0 0 0 | + | 8 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 2 27 1 0 0 0 0 | + | 2 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 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 27 28 | + | M SAL 2 2 27 28 |
| − | M SBL 2 1 30 | + | M SBL 2 1 30 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 30 -2.3746 -0.551 | + | M SVB 2 30 -2.3746 -0.551 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 25 26 | + | M SAL 1 2 25 26 |
| − | M SBL 1 1 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 28 0.764 -0.8486 | + | M SVB 1 28 0.764 -0.8486 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5F2ANP0001 | + | ID FL5F2ANP0001 |
| − | KNApSAcK_ID C00005079 | + | KNApSAcK_ID C00005079 |
| − | NAME 4'-Hydroxy-3,6-dimethoxy-6'',6''-dimethylpyrano[2,3:7,8]flavone | + | NAME 4'-Hydroxy-3,6-dimethoxy-6'',6''-dimethylpyrano[2,3:7,8]flavone |
| − | CAS_RN 157072-30-5 | + | CAS_RN 157072-30-5 |
| − | FORMULA C22H20O6 | + | FORMULA C22H20O6 |
| − | EXACTMASS 380.125988372 | + | EXACTMASS 380.125988372 |
| − | AVERAGEMASS 380.3906 | + | AVERAGEMASS 380.3906 |
| − | SMILES c(c1)(ccc(C(=C4OC)Oc(c(C4=O)3)c(C=2)c(c(OC)c3)OC(C2)(C)C)c1)O | + | SMILES c(c1)(ccc(C(=C4OC)Oc(c(C4=O)3)c(C=2)c(c(OC)c3)OC(C2)(C)C)c1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 31 0 0 0 0 0 0 0 0999 V2000
-2.5908 -0.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9703 -0.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5160 -0.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6823 0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3028 0.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7569 -0.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2281 0.6485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3943 1.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0148 1.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4690 0.9810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7443 0.5189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1810 2.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7181 2.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8875 3.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5199 3.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9829 2.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8134 2.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3775 0.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8317 -0.3816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6654 -1.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0449 -1.1684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2241 -1.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6655 -1.6290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6893 3.9525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6872 1.9761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0199 2.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2435 -1.5469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6601 -0.9635 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
6 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 1 1 0 0 0 0
20 22 1 0 0 0 0
20 23 1 0 0 0 0
15 24 1 0 0 0 0
8 25 1 0 0 0 0
25 26 1 0 0 0 0
2 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 27 28
M SBL 2 1 30
M SMT 2 OCH3
M SVB 2 30 -2.3746 -0.551
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 28
M SMT 1 OCH3
M SVB 1 28 0.764 -0.8486
S SKP 8
ID FL5F2ANP0001
KNApSAcK_ID C00005079
NAME 4'-Hydroxy-3,6-dimethoxy-6'',6''-dimethylpyrano[2,3:7,8]flavone
CAS_RN 157072-30-5
FORMULA C22H20O6
EXACTMASS 380.125988372
AVERAGEMASS 380.3906
SMILES c(c1)(ccc(C(=C4OC)Oc(c(C4=O)3)c(C=2)c(c(OC)c3)OC(C2)(C)C)c1)O
M END
