Mol:FLIAE8NS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2825 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2825 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2825 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2825 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7262 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7262 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1699 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1699 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1699 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1699 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7262 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7262 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6136 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6136 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0573 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0573 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0573 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0573 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6136 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6136 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4988 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4988 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4988 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4988 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0936 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0936 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6883 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6883 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6883 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6883 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0936 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0936 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6136 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6136 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7262 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7262 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8386 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8386 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0954 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0954 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9970 0.2853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9970 0.2853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2825 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2825 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2825 0.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2825 0.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9970 -0.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9970 -0.1966 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 12 20 1 0 0 0 0 | + | 12 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 15 23 1 0 0 0 0 | + | 15 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 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 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 23 | + | M SBL 1 1 23 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 23 -6.9116 3.3408 | + | M SBV 1 23 -6.9116 3.3408 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 23 24 | + | M SAL 2 2 23 24 |
| − | M SBL 2 1 25 | + | M SBL 2 1 25 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 25 -5.6030 3.5924 | + | M SBV 2 25 -5.6030 3.5924 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAE8NS0003 | + | ID FLIAE8NS0003 |
| − | KNApSAcK_ID C00009472 | + | KNApSAcK_ID C00009472 |
| − | NAME Podospicatin;5,7,2'-Trihydroxy-6,5'-dimethoxyisoflavone | + | NAME Podospicatin;5,7,2'-Trihydroxy-6,5'-dimethoxyisoflavone |
| − | CAS_RN 479-97-0 | + | CAS_RN 479-97-0 |
| − | FORMULA C17H14O7 | + | FORMULA C17H14O7 |
| − | EXACTMASS 330.073952802 | + | EXACTMASS 330.073952802 |
| − | AVERAGEMASS 330.28886 | + | AVERAGEMASS 330.28886 |
| − | SMILES COc(c3)cc(c(O)c3)C(=C2)C(=O)c(c(O)1)c(O2)cc(O)c(OC)1 | + | SMILES COc(c3)cc(c(O)c3)C(=C2)C(=O)c(c(O)1)c(O2)cc(O)c(OC)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/
24 26 0 0 0 0 0 0 0 0999 V2000
-2.2825 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2825 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7262 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1699 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1699 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7262 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6136 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0573 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0573 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6136 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4988 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4988 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0936 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6883 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6883 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0936 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6136 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7262 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8386 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0954 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9970 0.2853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2825 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2825 0.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9970 -0.1966 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
8 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
12 20 1 0 0 0 0
2 21 1 0 0 0 0
21 22 1 0 0 0 0
15 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 ^OCH3
M SBV 1 23 -6.9116 3.3408
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 25
M SMT 2 OCH3
M SBV 2 25 -5.6030 3.5924
S SKP 8
ID FLIAE8NS0003
KNApSAcK_ID C00009472
NAME Podospicatin;5,7,2'-Trihydroxy-6,5'-dimethoxyisoflavone
CAS_RN 479-97-0
FORMULA C17H14O7
EXACTMASS 330.073952802
AVERAGEMASS 330.28886
SMILES COc(c3)cc(c(O)c3)C(=C2)C(=O)c(c(O)1)c(O2)cc(O)c(OC)1
M END
