Mol:FL4DA8NS0007
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 |
| − | -2.1353 0.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1353 0.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4226 0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4226 0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1321 -0.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1321 -0.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4153 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4153 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7027 -0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7027 -0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7063 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7063 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0136 -1.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0136 -1.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7262 -0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7262 -0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7226 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7226 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0063 0.5764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0063 0.5764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3764 0.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3764 0.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0924 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0924 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8053 0.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8053 0.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8021 1.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8021 1.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0860 1.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0860 1.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3732 1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3732 1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0147 -1.7169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0147 -1.7169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4153 -1.7881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4153 -1.7881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7531 0.5111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7531 0.5111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3041 -0.9916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3041 -0.9916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3892 0.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3892 0.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3892 0.2162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3892 0.2162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0924 -0.5488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0924 -0.5488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7801 -0.9459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7801 -0.9459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 1 3 1 0 0 0 0 | + | 1 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 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 6 1 0 0 0 0 | + | 10 6 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 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 |
| − | 4 18 1 0 0 0 0 | + | 4 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 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 13 22 1 0 0 0 0 | + | 13 22 1 0 0 0 0 |
| − | 12 23 1 0 0 0 0 | + | 12 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DA8NS0007 | + | ID FL4DA8NS0007 |
| − | KNApSAcK_ID C00014367 | + | KNApSAcK_ID C00014367 |
| − | NAME 3,5,3'-Trihydroxy-7,2'-dimethoxyflavanone | + | NAME 3,5,3'-Trihydroxy-7,2'-dimethoxyflavanone |
| − | CAS_RN 188440-69-9 | + | CAS_RN 188440-69-9 |
| − | FORMULA C17H16O7 | + | FORMULA C17H16O7 |
| − | EXACTMASS 332.089602866 | + | EXACTMASS 332.089602866 |
| − | AVERAGEMASS 332.30474 | + | AVERAGEMASS 332.30474 |
| − | SMILES COc(c3)cc(O1)c(c(O)3)C(=O)C(O)C1c(c2)c(OC)c(O)cc2 | + | SMILES COc(c3)cc(O1)c(c(O)3)C(=O)C(O)C1c(c2)c(OC)c(O)cc2 |
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
-2.1353 0.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4226 0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1321 -0.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4153 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7027 -0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7063 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0136 -1.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7262 -0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7226 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0063 0.5764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3764 0.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0924 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8053 0.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8021 1.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0860 1.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3732 1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0147 -1.7169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4153 -1.7881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7531 0.5111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3041 -0.9916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3892 0.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3892 0.2162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0924 -0.5488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7801 -0.9459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 2 1 0 0 0 0
5 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 6 1 0 0 0 0
9 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
4 18 1 0 0 0 0
1 19 1 0 0 0 0
8 20 1 0 0 0 0
19 21 1 0 0 0 0
13 22 1 0 0 0 0
12 23 1 0 0 0 0
23 24 1 0 0 0 0
S SKP 8
ID FL4DA8NS0007
KNApSAcK_ID C00014367
NAME 3,5,3'-Trihydroxy-7,2'-dimethoxyflavanone
CAS_RN 188440-69-9
FORMULA C17H16O7
EXACTMASS 332.089602866
AVERAGEMASS 332.30474
SMILES COc(c3)cc(O1)c(c(O)3)C(=O)C(O)C1c(c2)c(OC)c(O)cc2
M END
