Mol:FL1CHYNS0007
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 |
| − | -2.5495 0.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5495 0.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5495 -0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5495 -0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9932 -0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9932 -0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4369 -0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4369 -0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4369 0.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4369 0.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9932 0.8139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9932 0.8139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8806 -0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8806 -0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3243 -0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3243 -0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2318 -0.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2318 -0.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7879 -0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7879 -0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3489 -0.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3489 -0.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9099 -0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9099 -0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9099 0.4981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9099 0.4981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3489 0.8220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3489 0.8220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7879 0.4981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7879 0.4981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8806 -0.9722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8806 -0.9722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2318 -1.1115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2318 -1.1115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5260 -0.3498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5260 -0.3498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9067 0.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9067 0.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5260 0.6983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5260 0.6983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9067 1.1115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9067 1.1115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4066 1.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4066 1.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4296 -0.6314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4296 -0.6314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7152 -1.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7152 -1.0439 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 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 |
| − | 9 17 1 0 0 0 0 | + | 9 17 1 0 0 0 0 |
| − | 12 18 1 0 0 0 0 | + | 12 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 13 1 0 0 0 0 | + | 20 13 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 3 23 1 0 0 0 0 | + | 3 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 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 23 24 | + | M SAL 2 2 23 24 |
| − | M SBL 2 1 25 | + | M SBL 2 1 25 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 25 -2.4296 -0.6314 | + | M SVB 2 25 -2.4296 -0.6314 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 23 -2.9067 1.1115 | + | M SVB 1 23 -2.9067 1.1115 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CHYNS0007 | + | ID FL1CHYNS0007 |
| − | KNApSAcK_ID C00007015 | + | KNApSAcK_ID C00007015 |
| − | NAME Milletenone | + | NAME Milletenone |
| − | CAS_RN 55303-87-2 | + | CAS_RN 55303-87-2 |
| − | FORMULA C18H16O6 | + | FORMULA C18H16O6 |
| − | EXACTMASS 328.094688244 | + | EXACTMASS 328.094688244 |
| − | AVERAGEMASS 328.31604 | + | AVERAGEMASS 328.31604 |
| − | SMILES c(c1C(=O)C=C(c(c3)cc(c2c3)OCO2)O)(OC)cc(OC)cc1 | + | SMILES c(c1C(=O)C=C(c(c3)cc(c2c3)OCO2)O)(OC)cc(OC)cc1 |
M END | M END | ||
| − | |||
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
-2.5495 0.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5495 -0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9932 -0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4369 -0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4369 0.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9932 0.8139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8806 -0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3243 -0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2318 -0.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7879 -0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3489 -0.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9099 -0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9099 0.4981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3489 0.8220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7879 0.4981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8806 -0.9722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2318 -1.1115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5260 -0.3498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9067 0.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5260 0.6983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9067 1.1115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4066 1.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4296 -0.6314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7152 -1.0439 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 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
9 17 1 0 0 0 0
12 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 13 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
3 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 25
M SMT 2 OCH3
M SVB 2 25 -2.4296 -0.6314
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 -2.9067 1.1115
S SKP 8
ID FL1CHYNS0007
KNApSAcK_ID C00007015
NAME Milletenone
CAS_RN 55303-87-2
FORMULA C18H16O6
EXACTMASS 328.094688244
AVERAGEMASS 328.31604
SMILES c(c1C(=O)C=C(c(c3)cc(c2c3)OCO2)O)(OC)cc(OC)cc1
M END
