Mol:FLIAELNS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 29 0 0 0 0 0 0 0 0999 V2000 | + | 26 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8834 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8834 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8834 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8834 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3271 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3271 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7708 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7708 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7708 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7708 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3271 1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3271 1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2145 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2145 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3418 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3418 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3418 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3418 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2145 1.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2145 1.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8979 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8979 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8979 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8979 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4927 -0.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4927 -0.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0875 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0875 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0875 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0875 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4927 0.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4927 0.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4395 1.5291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4395 1.5291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2145 -0.4009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2145 -0.4009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6355 -1.4574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6355 -1.4574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3185 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3185 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5979 -0.9018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5979 -0.9018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3271 -0.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3271 -0.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7898 1.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7898 1.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5043 0.7595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5043 0.7595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5979 0.6571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5979 0.6571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8834 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8834 0.2446 0.0000 C 0 0 0 0 0 0 0 0 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 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 7 18 2 0 0 0 0 | + | 7 18 2 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 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 14 1 0 0 0 0 | + | 21 14 1 0 0 0 0 |
| − | 3 22 1 0 0 0 0 | + | 3 22 1 0 0 0 0 |
| − | 16 23 1 0 0 0 0 | + | 16 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 2 25 1 0 0 0 0 | + | 2 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 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 23 24 | + | M SAL 1 2 23 24 |
| − | M SBL 1 1 26 | + | M SBL 1 1 26 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 26 -4.7378 5.7727 | + | M SBV 1 26 -4.7378 5.7727 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 25 26 | + | M SAL 2 2 25 26 |
| − | M SBL 2 1 28 | + | M SBL 2 1 28 |
| − | M SMT 2 ^OCH3 | + | M SMT 2 ^OCH3 |
| − | M SBV 2 28 -5.7494 5.2801 | + | M SBV 2 28 -5.7494 5.2801 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAELNS0002 | + | ID FLIAELNS0002 |
| − | KNApSAcK_ID C00009864 | + | KNApSAcK_ID C00009864 |
| − | NAME Dalpalatin | + | NAME Dalpalatin |
| − | CAS_RN 126595-77-5 | + | CAS_RN 126595-77-5 |
| − | FORMULA C18H14O8 | + | FORMULA C18H14O8 |
| − | EXACTMASS 358.068867424 | + | EXACTMASS 358.068867424 |
| − | AVERAGEMASS 358.29896 | + | AVERAGEMASS 358.29896 |
| − | SMILES c(c4OC)(O)cc(c(c4O)3)OC=C(C3=O)c(c2)c(OC)cc(c21)OCO1 | + | SMILES c(c4OC)(O)cc(c(c4O)3)OC=C(C3=O)c(c2)c(OC)cc(c21)OCO1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 29 0 0 0 0 0 0 0 0999 V2000
-1.8834 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8834 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3271 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7708 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7708 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3271 1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2145 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3418 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3418 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2145 1.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8979 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8979 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4927 -0.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0875 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0875 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4927 0.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4395 1.5291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2145 -0.4009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6355 -1.4574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3185 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5979 -0.9018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3271 -0.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7898 1.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5043 0.7595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5979 0.6571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8834 0.2446 0.0000 C 0 0 0 0 0 0 0 0 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 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 16 1 0 0 0 0
16 11 2 0 0 0 0
1 2 1 0 0 0 0
1 17 1 0 0 0 0
7 18 2 0 0 0 0
13 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 14 1 0 0 0 0
3 22 1 0 0 0 0
16 23 1 0 0 0 0
23 24 1 0 0 0 0
2 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 23 24
M SBL 1 1 26
M SMT 1 OCH3
M SBV 1 26 -4.7378 5.7727
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 25 26
M SBL 2 1 28
M SMT 2 ^OCH3
M SBV 2 28 -5.7494 5.2801
S SKP 8
ID FLIAELNS0002
KNApSAcK_ID C00009864
NAME Dalpalatin
CAS_RN 126595-77-5
FORMULA C18H14O8
EXACTMASS 358.068867424
AVERAGEMASS 358.29896
SMILES c(c4OC)(O)cc(c(c4O)3)OC=C(C3=O)c(c2)c(OC)cc(c21)OCO1
M END
