Mol:FL5FABNI0001
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 |
| − | -2.3198 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3198 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3198 -0.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3198 -0.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7635 -1.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7635 -1.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2072 -0.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2072 -0.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2072 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2072 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7635 0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7635 0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6509 -1.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6509 -1.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0946 -0.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0946 -0.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0946 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0946 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6509 0.1608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6509 0.1608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6509 -1.6248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6509 -1.6248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4615 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4615 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0284 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0284 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5954 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5954 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5954 0.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5954 0.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0284 1.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0284 1.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4615 0.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4615 0.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8767 0.1902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8767 0.1902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4852 -1.1092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4852 -1.1092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7635 -1.7661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7635 -1.7661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7635 0.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7635 0.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3196 1.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3196 1.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2074 1.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2074 1.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7635 1.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7635 1.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2074 1.7661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2074 1.7661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1622 1.1426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1622 1.1426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8767 0.7301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8767 0.7301 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 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 15 26 1 0 0 0 0 | + | 15 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 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 28 -7.5651 4.7456 | + | M SBV 1 28 -7.5651 4.7456 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FABNI0001 | + | ID FL5FABNI0001 |
| − | KNApSAcK_ID C00005004 | + | KNApSAcK_ID C00005004 |
| − | NAME 3,5,7-Trihydroxy-4'-methoxy-8-(1,1-dimethylprop-2-en-1-yl)flavone | + | NAME 3,5,7-Trihydroxy-4'-methoxy-8-(1,1-dimethylprop-2-en-1-yl)flavone |
| − | CAS_RN 128508-12-3 | + | CAS_RN 128508-12-3 |
| − | FORMULA C21H20O6 | + | FORMULA C21H20O6 |
| − | EXACTMASS 368.125988372 | + | EXACTMASS 368.125988372 |
| − | AVERAGEMASS 368.37989999999996 | + | AVERAGEMASS 368.37989999999996 |
| − | SMILES c(c3)(ccc(OC)c3)C(O1)=C(C(c(c(O)2)c(c(c(O)c2)C(C)(C)C=C)1)=O)O | + | SMILES c(c3)(ccc(OC)c3)C(O1)=C(C(c(c(O)2)c(c(c(O)c2)C(C)(C)C=C)1)=O)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
-2.3198 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3198 -0.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7635 -1.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2072 -0.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2072 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7635 0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6509 -1.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0946 -0.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0946 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6509 0.1608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6509 -1.6248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4615 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0284 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5954 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5954 0.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0284 1.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4615 0.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8767 0.1902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4852 -1.1092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7635 -1.7661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7635 0.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3196 1.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2074 1.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7635 1.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2074 1.7661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1622 1.1426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8767 0.7301 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
18 1 1 0 0 0 0
8 19 1 0 0 0 0
3 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
21 24 1 0 0 0 0
24 25 2 0 0 0 0
15 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 28
M SMT 1 OCH3
M SBV 1 28 -7.5651 4.7456
S SKP 8
ID FL5FABNI0001
KNApSAcK_ID C00005004
NAME 3,5,7-Trihydroxy-4'-methoxy-8-(1,1-dimethylprop-2-en-1-yl)flavone
CAS_RN 128508-12-3
FORMULA C21H20O6
EXACTMASS 368.125988372
AVERAGEMASS 368.37989999999996
SMILES c(c3)(ccc(OC)c3)C(O1)=C(C(c(c(O)2)c(c(c(O)c2)C(C)(C)C=C)1)=O)O
M END
