Mol:FL5FDANF0001
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 30 0 0 0 0 0 0 0 0999 V2000 | + | 27 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.2652 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2652 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2652 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2652 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7089 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7089 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1526 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1526 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1526 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1526 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7089 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7089 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4037 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4037 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9600 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9600 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9600 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9600 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4037 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4037 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4037 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4037 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5161 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5161 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0831 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0831 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6501 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6501 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6501 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6501 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0831 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0831 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5161 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5161 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2169 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2169 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7089 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7089 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8761 0.3498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8761 0.3498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2537 -0.1699 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.2537 -0.1699 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -1.8761 -0.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8761 -0.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8958 -0.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8958 -0.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2169 -0.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2169 -0.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2169 0.3862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2169 0.3862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8260 -0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8260 -0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6920 -1.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6920 -1.4911 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 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 2 1 0 0 0 0 | + | 22 2 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 2 0 0 0 0 | + | 23 25 2 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 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 26 27 | + | M SAL 1 2 26 27 |
| − | M SBL 1 1 29 | + | M SBL 1 1 29 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 29 1.1589 -0.6973 | + | M SVB 1 29 1.1589 -0.6973 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FDANF0001 | + | ID FL5FDANF0001 |
| − | KNApSAcK_ID C00005095 | + | KNApSAcK_ID C00005095 |
| − | NAME Vellokaempferol 3-methyl ether | + | NAME Vellokaempferol 3-methyl ether |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C21H18O6 | + | FORMULA C21H18O6 |
| − | EXACTMASS 366.110338308 | + | EXACTMASS 366.110338308 |
| − | AVERAGEMASS 366.36402 | + | AVERAGEMASS 366.36402 |
| − | SMILES c(c4)(ccc(O)c4)C(O1)=C(C(c(c(O)2)c1cc(O3)c2CC3C(C)=C)=O)OC | + | SMILES c(c4)(ccc(O)c4)C(O1)=C(C(c(c(O)2)c1cc(O3)c2CC3C(C)=C)=O)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/
27 30 0 0 0 0 0 0 0 0999 V2000
-1.2652 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2652 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7089 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1526 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1526 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7089 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4037 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9600 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9600 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4037 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4037 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5161 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0831 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6501 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6501 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0831 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5161 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2169 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7089 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8761 0.3498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2537 -0.1699 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.8761 -0.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8958 -0.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2169 -0.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2169 0.3862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8260 -0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6920 -1.4911 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
3 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 2 1 0 0 0 0
21 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 2 0 0 0 0
8 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 29
M SMT 1 OCH3
M SVB 1 29 1.1589 -0.6973
S SKP 8
ID FL5FDANF0001
KNApSAcK_ID C00005095
NAME Vellokaempferol 3-methyl ether
CAS_RN -
FORMULA C21H18O6
EXACTMASS 366.110338308
AVERAGEMASS 366.36402
SMILES c(c4)(ccc(O)c4)C(O1)=C(C(c(c(O)2)c1cc(O3)c2CC3C(C)=C)=O)OC
M END
