Mol:FL5FEANS0012
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 |
| − | -2.2410 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2410 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2410 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2410 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6847 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6847 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1284 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1284 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1284 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1284 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6847 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6847 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5721 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5721 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0158 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0158 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0158 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0158 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5721 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5721 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5721 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5721 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5403 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5403 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1072 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1072 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6742 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6742 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6742 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6742 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1072 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1072 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5403 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5403 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5403 -0.8121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5403 -0.8121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7971 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7971 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6847 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6847 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9555 -0.3996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9555 -0.3996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2410 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2410 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2410 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2410 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9555 1.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9555 1.0418 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 |
| − | 8 18 1 0 0 0 0 | + | 8 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 |
| − | 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 -7.5714 3.7696 | + | M SBV 1 23 -7.5714 3.7696 |
| − | 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 -6.2901 4.0054 | + | M SBV 2 25 -6.2901 4.0054 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FEANS0012 | + | ID FL5FEANS0012 |
| − | KNApSAcK_ID C00004600 | + | KNApSAcK_ID C00004600 |
| − | NAME Betuletol;6,4'-Dimethoxy-3,5,7-trihydroxyflavone;3,5,7-Trihydroxy-6-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one | + | NAME Betuletol;6,4'-Dimethoxy-3,5,7-trihydroxyflavone;3,5,7-Trihydroxy-6-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 35214-88-1 | + | CAS_RN 35214-88-1 |
| − | FORMULA C17H14O7 | + | FORMULA C17H14O7 |
| − | EXACTMASS 330.073952802 | + | EXACTMASS 330.073952802 |
| − | AVERAGEMASS 330.28886 | + | AVERAGEMASS 330.28886 |
| − | SMILES COc(c3)ccc(c3)C(O1)=C(O)C(=O)c(c(O)2)c(cc(O)c(OC)2)1 | + | SMILES COc(c3)ccc(c3)C(O1)=C(O)C(=O)c(c(O)2)c(cc(O)c(OC)2)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
-2.2410 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2410 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6847 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1284 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1284 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6847 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5721 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0158 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0158 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5721 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5721 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5403 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1072 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6742 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6742 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1072 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5403 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5403 -0.8121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7971 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6847 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9555 -0.3996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2410 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2410 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9555 1.0418 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
8 18 1 0 0 0 0
1 19 1 0 0 0 0
3 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 -7.5714 3.7696
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 -6.2901 4.0054
S SKP 8
ID FL5FEANS0012
KNApSAcK_ID C00004600
NAME Betuletol;6,4'-Dimethoxy-3,5,7-trihydroxyflavone;3,5,7-Trihydroxy-6-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 35214-88-1
FORMULA C17H14O7
EXACTMASS 330.073952802
AVERAGEMASS 330.28886
SMILES COc(c3)ccc(c3)C(O1)=C(O)C(=O)c(c(O)2)c(cc(O)c(OC)2)1
M END
