Mol:FLIBHXNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1808 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1808 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1808 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1808 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6245 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6245 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0682 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0682 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0682 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0682 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6245 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6245 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5119 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5119 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0444 0.3315 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.0444 0.3315 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.0444 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0444 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5119 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5119 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6005 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6005 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6005 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6005 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1953 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1953 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7901 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7901 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7901 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7901 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1953 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1953 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5119 -0.6350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5119 -0.6350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6245 -0.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6245 -0.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7369 1.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7369 1.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6506 0.6815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6506 0.6815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3843 0.3535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3843 0.3535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6561 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6561 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5222 -1.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5222 -1.6763 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 1 0 0 0 0 | + | 8 9 1 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 |
| − | 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 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 14 22 1 0 0 0 0 | + | 14 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 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 22 23 | + | M SAL 1 2 22 23 |
| − | M SBL 1 1 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 24 2.0224 -0.8826 | + | M SVB 1 24 2.0224 -0.8826 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIBHXNS0001 | + | ID FLIBHXNS0001 |
| − | KNApSAcK_ID C00009955 | + | KNApSAcK_ID C00009955 |
| − | NAME Bolusanthin;3,5,7,3'-Tetrahydroxy-4'-methoxyisoflavone | + | NAME Bolusanthin;3,5,7,3'-Tetrahydroxy-4'-methoxyisoflavone |
| − | CAS_RN 99365-26-1 | + | CAS_RN 99365-26-1 |
| − | FORMULA C16H14O7 | + | FORMULA C16H14O7 |
| − | EXACTMASS 318.073952802 | + | EXACTMASS 318.073952802 |
| − | AVERAGEMASS 318.27816 | + | AVERAGEMASS 318.27816 |
| − | SMILES COc(c3)c(O)cc(c3)C(O)(C1)C(=O)c(c(O)2)c(cc(O)c2)O1 | + | SMILES COc(c3)c(O)cc(c3)C(O)(C1)C(=O)c(c(O)2)c(cc(O)c2)O1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-2.1808 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1808 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6245 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0682 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0682 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6245 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5119 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0444 0.3315 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0444 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5119 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6005 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6005 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1953 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7901 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7901 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1953 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5119 -0.6350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6245 -0.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7369 1.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6506 0.6815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3843 0.3535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6561 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5222 -1.6763 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 1 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
8 20 1 0 0 0 0
15 21 1 0 0 0 0
14 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 2.0224 -0.8826
S SKP 8
ID FLIBHXNS0001
KNApSAcK_ID C00009955
NAME Bolusanthin;3,5,7,3'-Tetrahydroxy-4'-methoxyisoflavone
CAS_RN 99365-26-1
FORMULA C16H14O7
EXACTMASS 318.073952802
AVERAGEMASS 318.27816
SMILES COc(c3)c(O)cc(c3)C(O)(C1)C(=O)c(c(O)2)c(cc(O)c2)O1
M END
