Mol:FL1D1CNS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 22 0 0 0 0 0 0 0 0999 V2000 | + | 21 22 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2867 0.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2867 0.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2867 -0.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2867 -0.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7327 -0.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7327 -0.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1787 -0.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1787 -0.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1787 0.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1787 0.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7327 0.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7327 0.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6250 -0.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6250 -0.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0725 -0.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0725 -0.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4788 -0.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4788 -0.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0290 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0290 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5674 -0.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5674 -0.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1057 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1057 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1057 0.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1057 0.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5674 0.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5674 0.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0290 0.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0290 0.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6250 -1.1073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6250 -1.1073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6440 0.7814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6440 0.7814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6440 -0.4617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6440 -0.4617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7327 -1.1088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7327 -1.1088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6440 1.1088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6440 1.1088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1441 1.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1441 1.9748 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 |
| − | 2 3 1 0 0 0 0 | + | 2 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 1 1 0 0 0 0 | + | 6 1 1 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 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 13 17 1 0 0 0 0 | + | 13 17 1 0 0 0 0 |
| − | 12 18 1 0 0 0 0 | + | 12 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 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 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 21 | + | M SBL 1 1 21 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 21 -2.644 1.1088 | + | M SVB 1 21 -2.644 1.1088 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1D1CNS0002 | + | ID FL1D1CNS0002 |
| − | KNApSAcK_ID C00007935 | + | KNApSAcK_ID C00007935 |
| − | NAME Dihydrocalythropsin | + | NAME Dihydrocalythropsin |
| − | CAS_RN 151703-05-8 | + | CAS_RN 151703-05-8 |
| − | FORMULA C16H16O5 | + | FORMULA C16H16O5 |
| − | EXACTMASS 288.099773622 | + | EXACTMASS 288.099773622 |
| − | AVERAGEMASS 288.29524 | + | AVERAGEMASS 288.29524 |
| − | SMILES COc(c2)cc(O)c(c2)C(=O)CCc(c1)cc(O)c(O)c1 | + | SMILES COc(c2)cc(O)c(c2)C(=O)CCc(c1)cc(O)c(O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 22 0 0 0 0 0 0 0 0999 V2000
-2.2867 0.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2867 -0.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7327 -0.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1787 -0.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1787 0.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7327 0.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6250 -0.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0725 -0.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4788 -0.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0290 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5674 -0.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1057 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1057 0.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5674 0.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0290 0.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6250 -1.1073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6440 0.7814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6440 -0.4617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7327 -1.1088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6440 1.1088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1441 1.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 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 1 1 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 11 2 0 0 0 0
11 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 10 1 0 0 0 0
7 16 2 0 0 0 0
13 17 1 0 0 0 0
12 18 1 0 0 0 0
3 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 -2.644 1.1088
S SKP 8
ID FL1D1CNS0002
KNApSAcK_ID C00007935
NAME Dihydrocalythropsin
CAS_RN 151703-05-8
FORMULA C16H16O5
EXACTMASS 288.099773622
AVERAGEMASS 288.29524
SMILES COc(c2)cc(O)c(c2)C(=O)CCc(c1)cc(O)c(O)c1
M END
