Mol:FL1C39NS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 20 21 0 0 0 0 0 0 0 0999 V2000 | + | 20 21 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8725 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8725 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8725 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8725 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3162 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3162 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7599 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7599 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7599 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7599 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3162 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3162 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2036 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2036 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3527 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3527 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9088 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9088 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4649 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4649 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0259 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0259 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5869 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5869 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5869 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5869 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0259 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0259 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4649 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4649 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2036 -0.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2036 -0.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3162 -0.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3162 -0.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4286 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4286 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5869 0.0872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5869 0.0872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8725 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8725 -0.3252 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 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 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 19 20 | + | M SAL 1 2 19 20 |
| − | M SBL 1 1 20 | + | M SBL 1 1 20 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 20 -5.3259 2.7096 | + | M SBV 1 20 -5.3259 2.7096 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C39NS0001 | + | ID FL1C39NS0001 |
| − | KNApSAcK_ID C00006931 | + | KNApSAcK_ID C00006931 |
| − | NAME Larrein | + | NAME Larrein |
| − | CAS_RN 57361-84-9 | + | CAS_RN 57361-84-9 |
| − | FORMULA C16H14O4 | + | FORMULA C16H14O4 |
| − | EXACTMASS 270.089208936 | + | EXACTMASS 270.089208936 |
| − | AVERAGEMASS 270.27996 | + | AVERAGEMASS 270.27996 |
| − | SMILES COc(c(O)2)c(O)c(cc2)C(=O)C=Cc(c1)cccc1 | + | SMILES COc(c(O)2)c(O)c(cc2)C(=O)C=Cc(c1)cccc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
20 21 0 0 0 0 0 0 0 0999 V2000
-1.8725 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8725 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3162 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7599 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7599 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3162 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2036 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3527 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9088 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4649 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0259 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5869 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5869 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0259 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4649 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2036 -0.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3162 -0.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4286 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5869 0.0872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8725 -0.3252 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
3 17 1 0 0 0 0
1 18 1 0 0 0 0
2 19 1 0 0 0 0
19 20 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 20
M SMT 1 ^OCH3
M SBV 1 20 -5.3259 2.7096
S SKP 8
ID FL1C39NS0001
KNApSAcK_ID C00006931
NAME Larrein
CAS_RN 57361-84-9
FORMULA C16H14O4
EXACTMASS 270.089208936
AVERAGEMASS 270.27996
SMILES COc(c(O)2)c(O)c(cc2)C(=O)C=Cc(c1)cccc1
M END
