Mol:FL1C3ANS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 22 0 0 0 0 0 0 0 0999 V2000 | + | 21 22 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1529 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1529 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1529 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1529 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5966 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5966 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0403 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0403 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0403 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0403 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5966 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5966 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4840 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4840 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0723 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0723 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6284 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6284 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1845 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1845 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7455 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7455 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3065 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3065 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3065 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3065 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7455 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7455 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1845 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1845 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4840 -0.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4840 -0.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7090 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7090 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5966 -0.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5966 -0.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8674 0.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8674 0.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8674 0.0872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8674 0.0872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1529 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1529 -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 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 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 |
| − | 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 21 | + | M SBL 1 1 21 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 21 -5.6064 2.7096 | + | M SBV 1 21 -5.6064 2.7096 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C3ANS0002 | + | ID FL1C3ANS0002 |
| − | KNApSAcK_ID C00006949 | + | KNApSAcK_ID C00006949 |
| − | NAME Kukulkanin B | + | NAME Kukulkanin B |
| − | CAS_RN 124704-83-2 | + | CAS_RN 124704-83-2 |
| − | FORMULA C16H14O5 | + | FORMULA C16H14O5 |
| − | EXACTMASS 286.084123558 | + | EXACTMASS 286.084123558 |
| − | AVERAGEMASS 286.27936 | + | AVERAGEMASS 286.27936 |
| − | SMILES COc(c(O)2)c(O)c(cc2)C(=O)C=Cc(c1)ccc(O)c1 | + | SMILES COc(c(O)2)c(O)c(cc2)C(=O)C=Cc(c1)ccc(O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 22 0 0 0 0 0 0 0 0999 V2000
-2.1529 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1529 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5966 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0403 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0403 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5966 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4840 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0723 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6284 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1845 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7455 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3065 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3065 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7455 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1845 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4840 -0.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7090 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5966 -0.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8674 0.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8674 0.0872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1529 -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
1 17 1 0 0 0 0
3 18 1 0 0 0 0
13 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 21
M SMT 1 ^OCH3
M SBV 1 21 -5.6064 2.7096
S SKP 8
ID FL1C3ANS0002
KNApSAcK_ID C00006949
NAME Kukulkanin B
CAS_RN 124704-83-2
FORMULA C16H14O5
EXACTMASS 286.084123558
AVERAGEMASS 286.27936
SMILES COc(c(O)2)c(O)c(cc2)C(=O)C=Cc(c1)ccc(O)c1
M END
