Mol:FL3FA9NP0004
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 28 0 0 0 0 0 0 0 0999 V2000 | + | 25 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3680 -0.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3680 -0.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3680 -0.6982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3680 -0.6982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8117 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8117 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2554 -0.6982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2554 -0.6982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2554 -0.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2554 -0.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8117 0.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8117 0.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3009 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3009 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8572 -0.6982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8572 -0.6982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8572 -0.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8572 -0.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3009 0.2653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3009 0.2653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3009 -1.5203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3009 -1.5203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4133 0.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4133 0.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9803 -0.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9803 -0.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5472 0.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5472 0.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5472 0.9199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5472 0.9199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9803 1.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9803 1.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4133 0.9199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4133 0.9199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8117 0.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8117 0.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3680 1.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3680 1.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9243 0.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9243 0.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9243 0.2653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9243 0.2653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5472 0.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5472 0.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3197 1.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3197 1.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2481 -1.1800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2481 -1.1800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5337 -1.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5337 -1.5925 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 |
| − | 3 24 1 0 0 0 0 | + | 3 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 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 27 -7.6578 3.7642 | + | M SBV 1 27 -7.6578 3.7642 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FA9NP0004 | + | ID FL3FA9NP0004 |
| − | KNApSAcK_ID C00004047 | + | KNApSAcK_ID C00004047 |
| − | NAME Isopongaflavone;Candidin (Tephrosia);5-Methoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one | + | NAME Isopongaflavone;Candidin (Tephrosia);5-Methoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one |
| − | CAS_RN 64125-33-3 | + | CAS_RN 64125-33-3 |
| − | FORMULA C21H18O4 | + | FORMULA C21H18O4 |
| − | EXACTMASS 334.120509064 | + | EXACTMASS 334.120509064 |
| − | AVERAGEMASS 334.36521999999997 | + | AVERAGEMASS 334.36521999999997 |
| − | SMILES COc(c42)cc(O1)c(c2OC(=CC4=O)c(c3)cccc3)C=CC(C)(C)1 | + | SMILES COc(c42)cc(O1)c(c2OC(=CC4=O)c(c3)cccc3)C=CC(C)(C)1 |
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 28 0 0 0 0 0 0 0 0999 V2000
-1.3680 -0.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3680 -0.6982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8117 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2554 -0.6982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2554 -0.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8117 0.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3009 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8572 -0.6982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8572 -0.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3009 0.2653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3009 -1.5203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4133 0.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9803 -0.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5472 0.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5472 0.9199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9803 1.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4133 0.9199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8117 0.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3680 1.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9243 0.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9243 0.2653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5472 0.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3197 1.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2481 -1.1800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5337 -1.5925 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
3 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 24 25
M SBL 1 1 27
M SMT 1 OCH3
M SBV 1 27 -7.6578 3.7642
S SKP 8
ID FL3FA9NP0004
KNApSAcK_ID C00004047
NAME Isopongaflavone;Candidin (Tephrosia);5-Methoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
CAS_RN 64125-33-3
FORMULA C21H18O4
EXACTMASS 334.120509064
AVERAGEMASS 334.36521999999997
SMILES COc(c42)cc(O1)c(c2OC(=CC4=O)c(c3)cccc3)C=CC(C)(C)1
M END
