Mol:FL2FE8NS0002
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 |
| − | -1.8577 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8577 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8577 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8577 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3014 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3014 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7451 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7451 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7451 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7451 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3014 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3014 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1888 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1888 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3675 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3675 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3675 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3675 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1888 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1888 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9236 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9236 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4906 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4906 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0576 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0576 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0576 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0576 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4906 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4906 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9236 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9236 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1888 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1888 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3014 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3014 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3568 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3568 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4140 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4140 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5721 0.1753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5721 0.1753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5721 -0.4203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5721 -0.4203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8577 -0.8328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8577 -0.8328 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 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 |
| − | 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 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 SBV 1 24 -9.1886 5.5433 | + | M SBV 1 24 -9.1886 5.5433 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FE8NS0002 | + | ID FL2FE8NS0002 |
| − | KNApSAcK_ID C00008337 | + | KNApSAcK_ID C00008337 |
| − | NAME 5,7,2',5'-Tetrahydroxy-6-methoxyflavanone | + | NAME 5,7,2',5'-Tetrahydroxy-6-methoxyflavanone |
| − | CAS_RN 81524-09-6 | + | CAS_RN 81524-09-6 |
| − | FORMULA C16H14O7 | + | FORMULA C16H14O7 |
| − | EXACTMASS 318.073952802 | + | EXACTMASS 318.073952802 |
| − | AVERAGEMASS 318.27816 | + | AVERAGEMASS 318.27816 |
| − | SMILES COc(c(O)3)c(O)c(C(=O)2)c(c3)OC(C2)c(c1)c(O)ccc(O)1 | + | SMILES COc(c(O)3)c(O)c(C(=O)2)c(c3)OC(C2)c(c1)c(O)ccc(O)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/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.8577 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8577 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3014 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7451 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7451 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3014 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1888 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3675 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3675 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1888 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9236 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4906 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0576 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0576 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4906 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9236 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1888 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3014 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3568 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4140 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5721 0.1753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5721 -0.4203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8577 -0.8328 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 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
3 18 1 0 0 0 0
16 19 1 0 0 0 0
20 1 1 0 0 0 0
13 21 1 0 0 0 0
2 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 SBV 1 24 -9.1886 5.5433
S SKP 8
ID FL2FE8NS0002
KNApSAcK_ID C00008337
NAME 5,7,2',5'-Tetrahydroxy-6-methoxyflavanone
CAS_RN 81524-09-6
FORMULA C16H14O7
EXACTMASS 318.073952802
AVERAGEMASS 318.27816
SMILES COc(c(O)3)c(O)c(C(=O)2)c(c3)OC(C2)c(c1)c(O)ccc(O)1
M END
