Mol:FL5F3ANS0003
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 |
| − | -2.0624 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0624 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0624 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0624 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5061 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5061 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9498 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9498 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9498 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9498 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5061 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5061 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3935 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3935 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1628 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1628 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1628 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1628 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3935 0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3935 0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3935 -1.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3935 -1.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7189 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7189 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2859 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2859 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8528 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8528 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8528 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8528 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2859 1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2859 1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7189 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7189 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7189 -0.8828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7189 -0.8828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4197 1.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4197 1.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2281 0.9749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2281 0.9749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7917 1.8746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7917 1.8746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4197 0.6994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4197 0.6994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9197 1.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9197 1.5654 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 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 24 | + | M SBL 2 1 24 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 24 -2.4197 0.6994 | + | M SVB 2 24 -2.4197 0.6994 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 22 -1.2281 0.9749 | + | M SVB 1 22 -1.2281 0.9749 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5F3ANS0003 | + | ID FL5F3ANS0003 |
| − | KNApSAcK_ID C00004577 | + | KNApSAcK_ID C00004577 |
| − | NAME 3,4'-Dihydroxy-7,8-dimethoxyflavone | + | NAME 3,4'-Dihydroxy-7,8-dimethoxyflavone |
| − | CAS_RN 57499-07-7 | + | CAS_RN 57499-07-7 |
| − | FORMULA C17H14O6 | + | FORMULA C17H14O6 |
| − | EXACTMASS 314.07903818 | + | EXACTMASS 314.07903818 |
| − | AVERAGEMASS 314.28945999999996 | + | AVERAGEMASS 314.28945999999996 |
| − | SMILES COc(c3)c(OC)c(O1)c(c3)C(=O)C(O)=C1c(c2)ccc(O)c2 | + | SMILES COc(c3)c(OC)c(O1)c(c3)C(=O)C(O)=C1c(c2)ccc(O)c2 |
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
-2.0624 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0624 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9498 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9498 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1628 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1628 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 -1.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8528 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8528 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 -0.8828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4197 1.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2281 0.9749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7917 1.8746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4197 0.6994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9197 1.5654 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
15 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 -2.4197 0.6994
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 -1.2281 0.9749
S SKP 8
ID FL5F3ANS0003
KNApSAcK_ID C00004577
NAME 3,4'-Dihydroxy-7,8-dimethoxyflavone
CAS_RN 57499-07-7
FORMULA C17H14O6
EXACTMASS 314.07903818
AVERAGEMASS 314.28945999999996
SMILES COc(c3)c(OC)c(O1)c(c3)C(=O)C(O)=C1c(c2)ccc(O)c2
M END
