Mol:FL2FE8NS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 28 0 0 0 0 0 0 0 0999 V2000 | + | 25 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.2823 0.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2823 0.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7828 0.4322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7828 0.4322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2823 -0.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2823 -0.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7828 -0.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7828 -0.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2834 -0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2834 -0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2834 0.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2834 0.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2076 -0.7163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2076 -0.7163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6986 -0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6986 -0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6986 0.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6986 0.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2076 0.4176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2076 0.4176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1892 0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1892 0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6786 0.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6786 0.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1681 0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1681 0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1681 0.9825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1681 0.9825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6786 1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6786 1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1892 0.9825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1892 0.9825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6986 0.8081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6986 0.8081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8487 0.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8487 0.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1681 -0.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1681 -0.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7990 -0.6323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7990 -0.6323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2076 -1.2594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2076 -1.2594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2105 -0.0075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2105 -0.0075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9250 -0.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9250 -0.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2487 -0.8526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2487 -0.8526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5343 -1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5343 -1.2651 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 |
| − | 9 17 1 1 0 0 0 | + | 9 17 1 1 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 3 1 0 0 0 0 | + | 20 3 1 0 0 0 0 |
| − | 7 21 2 0 0 0 0 | + | 7 21 2 0 0 0 0 |
| − | 12 22 1 0 0 0 0 | + | 12 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 4 24 1 0 0 0 0 | + | 4 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 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 25 | + | M SBL 1 1 25 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 25 -7.8365 5.6525 | + | M SBV 1 25 -7.8365 5.6525 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 24 25 | + | M SAL 2 2 24 25 |
| − | M SBL 2 1 27 | + | M SBL 2 1 27 |
| − | M SMT 2 ^OCH3 | + | M SMT 2 ^OCH3 |
| − | M SBV 2 27 -7.8343 5.6438 | + | M SBV 2 27 -7.8343 5.6438 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FE8NS0001 | + | ID FL2FE8NS0001 |
| − | KNApSAcK_ID C00000942 | + | KNApSAcK_ID C00000942 |
| − | NAME Betagarin | + | NAME Betagarin |
| − | CAS_RN 60132-69-6 | + | CAS_RN 60132-69-6 |
| − | FORMULA C18H16O6 | + | FORMULA C18H16O6 |
| − | EXACTMASS 328.094688244 | + | EXACTMASS 328.094688244 |
| − | AVERAGEMASS 328.31604 | + | AVERAGEMASS 328.31604 |
| − | SMILES c(c(C(C4)(Oc(c3)c(C4=O)c(c(c32)OCO2)OC)[H])1)(OC)cccc1 | + | SMILES c(c(C(C4)(Oc(c3)c(C4=O)c(c(c32)OCO2)OC)[H])1)(OC)cccc1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 28 0 0 0 0 0 0 0 0999 V2000
-1.2823 0.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7828 0.4322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2823 -0.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7828 -0.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2834 -0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2834 0.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2076 -0.7163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6986 -0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6986 0.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2076 0.4176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1892 0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6786 0.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1681 0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1681 0.9825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6786 1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1892 0.9825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6986 0.8081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8487 0.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1681 -0.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7990 -0.6323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2076 -1.2594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2105 -0.0075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9250 -0.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2487 -0.8526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5343 -1.2651 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
9 17 1 1 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 3 1 0 0 0 0
7 21 2 0 0 0 0
12 22 1 0 0 0 0
22 23 1 0 0 0 0
4 24 1 0 0 0 0
24 25 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 25
M SMT 1 OCH3
M SBV 1 25 -7.8365 5.6525
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 24 25
M SBL 2 1 27
M SMT 2 ^OCH3
M SBV 2 27 -7.8343 5.6438
S SKP 8
ID FL2FE8NS0001
KNApSAcK_ID C00000942
NAME Betagarin
CAS_RN 60132-69-6
FORMULA C18H16O6
EXACTMASS 328.094688244
AVERAGEMASS 328.31604
SMILES c(c(C(C4)(Oc(c3)c(C4=O)c(c(c32)OCO2)OC)[H])1)(OC)cccc1
M END
