Mol:FL5FELNS0011
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 31 0 0 0 0 0 0 0 0999 V2000 | + | 29 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2410 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2410 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2410 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2410 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6847 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6847 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1284 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1284 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1284 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1284 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6847 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6847 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5721 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5721 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0158 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0158 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0158 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0158 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5721 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5721 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5721 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5721 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5403 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5403 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1072 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1072 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6742 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6742 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6742 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6742 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1072 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1072 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5403 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5403 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0265 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0265 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2410 0.1106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2410 0.1106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9555 -0.4342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9555 -0.4342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9474 -0.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9474 -0.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8502 -1.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8502 -1.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7163 -1.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7163 -1.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6847 -1.8468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6847 -1.8468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6847 -2.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6847 -2.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2410 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2410 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9555 1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9555 1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5983 0.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5983 0.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0983 1.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0983 1.6015 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 8 22 1 0 0 0 0 | + | 8 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 3 24 1 0 0 0 0 | + | 3 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 15 26 1 0 0 0 0 | + | 15 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 1 28 1 0 0 0 0 | + | 1 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | M STY 1 5 SUP | + | M STY 1 5 SUP |
| − | M SLB 1 5 5 | + | M SLB 1 5 5 |
| − | M SAL 5 2 28 29 | + | M SAL 5 2 28 29 |
| − | M SBL 5 1 30 | + | M SBL 5 1 30 |
| − | M SMT 5 OCH3 | + | M SMT 5 OCH3 |
| − | M SVB 5 30 -2.5983 0.7355 | + | M SVB 5 30 -2.5983 0.7355 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 26 27 | + | M SAL 4 2 26 27 |
| − | M SBL 4 1 28 | + | M SBL 4 1 28 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 28 2.241 1.4197 | + | M SVB 4 28 2.241 1.4197 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 24 25 | + | M SAL 3 2 24 25 |
| − | M SBL 3 1 26 | + | M SBL 3 1 26 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 26 -2.1212 -1.0073 | + | M SVB 3 26 -2.1212 -1.0073 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 24 | + | M SBL 2 1 24 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 24 0.183 -0.7319 | + | M SVB 2 24 0.183 -0.7319 |
| − | 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 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 22 -2.9555 -0.4342 | + | M SVB 1 22 -2.9555 -0.4342 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FELNS0011 | + | ID FL5FELNS0011 |
| − | KNApSAcK_ID C00004814 | + | KNApSAcK_ID C00004814 |
| − | NAME Apulein | + | NAME Apulein |
| − | CAS_RN 20362-24-7 | + | CAS_RN 20362-24-7 |
| − | FORMULA C20H20O9 | + | FORMULA C20H20O9 |
| − | EXACTMASS 404.11073223799997 | + | EXACTMASS 404.11073223799997 |
| − | AVERAGEMASS 404.3674 | + | AVERAGEMASS 404.3674 |
| − | SMILES O(C)c(c21)c(c(OC)cc(OC(c(c3)c(cc(c(O)3)OC)O)=C(C2=O)OC)1)OC | + | SMILES O(C)c(c21)c(c(OC)cc(OC(c(c3)c(cc(c(O)3)OC)O)=C(C2=O)OC)1)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 31 0 0 0 0 0 0 0 0999 V2000
-2.2410 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2410 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6847 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1284 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1284 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6847 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5721 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0158 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0158 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5721 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5721 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5403 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1072 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6742 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6742 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1072 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5403 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0265 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2410 0.1106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9555 -0.4342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9474 -0.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8502 -1.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7163 -1.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6847 -1.8468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6847 -2.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2410 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9555 1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5983 0.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0983 1.6015 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
7 11 2 0 0 0 0
9 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 17 2 0 0 0 0
17 12 1 0 0 0 0
17 18 1 0 0 0 0
14 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
8 22 1 0 0 0 0
22 23 1 0 0 0 0
3 24 1 0 0 0 0
24 25 1 0 0 0 0
15 26 1 0 0 0 0
26 27 1 0 0 0 0
1 28 1 0 0 0 0
28 29 1 0 0 0 0
M STY 1 5 SUP
M SLB 1 5 5
M SAL 5 2 28 29
M SBL 5 1 30
M SMT 5 OCH3
M SVB 5 30 -2.5983 0.7355
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 26 27
M SBL 4 1 28
M SMT 4 OCH3
M SVB 4 28 2.241 1.4197
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 24 25
M SBL 3 1 26
M SMT 3 OCH3
M SVB 3 26 -2.1212 -1.0073
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 0.183 -0.7319
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 -2.9555 -0.4342
S SKP 8
ID FL5FELNS0011
KNApSAcK_ID C00004814
NAME Apulein
CAS_RN 20362-24-7
FORMULA C20H20O9
EXACTMASS 404.11073223799997
AVERAGEMASS 404.3674
SMILES O(C)c(c21)c(c(OC)cc(OC(c(c3)c(cc(c(O)3)OC)O)=C(C2=O)OC)1)OC
M END
