Mol:FLIAFLNI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 34 0 0 0 0 0 0 0 0999 V2000 | + | 32 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6282 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6282 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6282 0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6282 0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0719 -0.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0719 -0.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5156 0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5156 0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5156 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5156 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0719 1.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0719 1.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0407 -0.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0407 -0.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5970 0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5970 0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5970 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5970 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0407 1.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0407 1.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1531 -0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1531 -0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1531 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1531 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7479 -1.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7479 -1.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3427 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3427 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3427 -0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3427 -0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7479 0.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7479 0.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0407 -0.7639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0407 -0.7639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1843 -0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1843 -0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1843 1.1628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1843 1.1628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0719 -0.7639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0719 -0.7639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1843 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1843 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7392 -1.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7392 -1.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7392 -1.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7392 -1.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2941 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2941 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7939 1.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7939 1.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3574 2.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3574 2.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3305 -1.3234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3305 -1.3234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0450 -1.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0450 -1.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2087 -1.3085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2087 -1.3085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0748 -1.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0748 -1.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0450 0.8057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0450 0.8057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7595 0.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7595 0.3932 0.0000 C 0 0 0 0 0 0 0 0 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 6 25 1 0 0 0 0 | + | 6 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 13 27 1 0 0 0 0 | + | 13 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 14 29 1 0 0 0 0 | + | 14 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 16 31 1 0 0 0 0 | + | 16 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 31 32 | + | M SAL 4 2 31 32 |
| − | M SBL 4 1 33 | + | M SBL 4 1 33 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 33 2.045 0.8057 | + | M SVB 4 33 2.045 0.8057 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 29 30 | + | M SAL 3 2 29 30 |
| − | M SBL 3 1 31 | + | M SBL 3 1 31 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 31 2.5796 -1.0148 | + | M SVB 3 31 2.5796 -1.0148 |
| − | 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 29 | + | M SBL 2 1 29 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 29 1.3305 -1.3234 | + | M SVB 2 29 1.3305 -1.3234 |
| − | 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 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 27 -0.7939 1.7359 | + | M SVB 1 27 -0.7939 1.7359 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAFLNI0001 | + | ID FLIAFLNI0001 |
| − | KNApSAcK_ID C00009914 | + | KNApSAcK_ID C00009914 |
| − | NAME 6-Prenylisocaviunin;5,7-Dihydroxy-8,2',4',5'-tetramethoxy-6-prenylisoflavone | + | NAME 6-Prenylisocaviunin;5,7-Dihydroxy-8,2',4',5'-tetramethoxy-6-prenylisoflavone |
| − | CAS_RN 132923-42-3 | + | CAS_RN 132923-42-3 |
| − | FORMULA C24H26O8 | + | FORMULA C24H26O8 |
| − | EXACTMASS 442.162767808 | + | EXACTMASS 442.162767808 |
| − | AVERAGEMASS 442.45844 | + | AVERAGEMASS 442.45844 |
| − | SMILES O(C)c(c31)c(O)c(CC=C(C)C)c(c1C(=O)C(=CO3)c(c2OC)cc(c(c2)OC)OC)O | + | SMILES O(C)c(c31)c(O)c(CC=C(C)C)c(c1C(=O)C(=CO3)c(c2OC)cc(c(c2)OC)OC)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 34 0 0 0 0 0 0 0 0999 V2000
-1.6282 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6282 0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0719 -0.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5156 0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5156 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0719 1.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0407 -0.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5970 0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5970 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0407 1.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1531 -0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1531 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7479 -1.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3427 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3427 -0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7479 0.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0407 -0.7639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1843 -0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1843 1.1628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0719 -0.7639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1843 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7392 -1.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7392 -1.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2941 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7939 1.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3574 2.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3305 -1.3234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0450 -1.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2087 -1.3085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0748 -1.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0450 0.8057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7595 0.3932 0.0000 C 0 0 0 0 0 0 0 0 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
8 11 1 0 0 0 0
11 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 11 2 0 0 0 0
1 2 1 0 0 0 0
7 17 2 0 0 0 0
2 18 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
18 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
6 25 1 0 0 0 0
25 26 1 0 0 0 0
13 27 1 0 0 0 0
27 28 1 0 0 0 0
14 29 1 0 0 0 0
29 30 1 0 0 0 0
16 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 31 32
M SBL 4 1 33
M SMT 4 OCH3
M SVB 4 33 2.045 0.8057
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 29 30
M SBL 3 1 31
M SMT 3 OCH3
M SVB 3 31 2.5796 -1.0148
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 27 28
M SBL 2 1 29
M SMT 2 OCH3
M SVB 2 29 1.3305 -1.3234
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 -0.7939 1.7359
S SKP 8
ID FLIAFLNI0001
KNApSAcK_ID C00009914
NAME 6-Prenylisocaviunin;5,7-Dihydroxy-8,2',4',5'-tetramethoxy-6-prenylisoflavone
CAS_RN 132923-42-3
FORMULA C24H26O8
EXACTMASS 442.162767808
AVERAGEMASS 442.45844
SMILES O(C)c(c31)c(O)c(CC=C(C)C)c(c1C(=O)C(=CO3)c(c2OC)cc(c(c2)OC)OC)O
M END
