Mol:FLIA2LNS0002
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 |
| − | -2.1566 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1566 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1566 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1566 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6003 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6003 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0440 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0440 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0440 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0440 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6003 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6003 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4877 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4877 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0686 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0686 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0686 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0686 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4877 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4877 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6247 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6247 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6247 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6247 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2194 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2194 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8142 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8142 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8142 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8142 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2194 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2194 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4877 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4877 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7127 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7127 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4674 -1.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4674 -1.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8711 -0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8711 -0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4674 0.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4674 0.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8711 0.2853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8711 0.2853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1566 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1566 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0898 -0.7446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0898 -0.7446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6247 -1.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6247 -1.1571 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 15 1 0 0 0 0 | + | 21 15 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 |
| − | 12 24 1 0 0 0 0 | + | 12 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 -6.7857 3.3408 | + | M SBV 1 25 -6.7857 3.3408 |
| − | 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 -6.7857 3.3188 | + | M SBV 2 27 -6.7857 3.3188 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA2LNS0002 | + | ID FLIA2LNS0002 |
| − | KNApSAcK_ID C00009419 | + | KNApSAcK_ID C00009419 |
| − | NAME Dalpatein | + | NAME Dalpatein |
| − | CAS_RN 40009-88-9 | + | CAS_RN 40009-88-9 |
| − | FORMULA C18H14O7 | + | FORMULA C18H14O7 |
| − | EXACTMASS 342.073952802 | + | EXACTMASS 342.073952802 |
| − | AVERAGEMASS 342.29956000000004 | + | AVERAGEMASS 342.29956000000004 |
| − | SMILES c(c34)c(c(OC)cc3OCO4)C(C2=O)=COc(c21)cc(O)c(OC)c1 | + | SMILES c(c34)c(c(OC)cc3OCO4)C(C2=O)=COc(c21)cc(O)c(OC)c1 |
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
-2.1566 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1566 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6003 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0440 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0440 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6003 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4877 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0686 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0686 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4877 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6247 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6247 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2194 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8142 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8142 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2194 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4877 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7127 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4674 -1.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8711 -0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4674 0.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8711 0.2853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1566 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0898 -0.7446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6247 -1.1571 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 5 1 0 0 0 0
8 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
1 18 1 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 15 1 0 0 0 0
2 22 1 0 0 0 0
22 23 1 0 0 0 0
12 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 -6.7857 3.3408
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 -6.7857 3.3188
S SKP 8
ID FLIA2LNS0002
KNApSAcK_ID C00009419
NAME Dalpatein
CAS_RN 40009-88-9
FORMULA C18H14O7
EXACTMASS 342.073952802
AVERAGEMASS 342.29956000000004
SMILES c(c34)c(c(OC)cc3OCO4)C(C2=O)=COc(c21)cc(O)c(OC)c1
M END
