Mol:FL1C3ANS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 23 0 0 0 0 0 0 0 0999 V2000 | + | 22 23 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5101 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5101 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5101 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5101 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9538 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9538 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3975 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3975 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3975 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3975 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9538 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9538 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8412 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8412 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2849 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2849 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2712 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2712 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8273 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8273 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3883 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3883 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9493 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9493 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9493 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9493 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3883 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3883 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8273 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8273 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8412 -0.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8412 -0.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0662 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0662 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9538 -0.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9538 -0.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2246 0.0872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2246 0.0872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5101 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5101 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5101 0.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5101 0.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2246 0.5549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2246 0.5549 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 |
| − | 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 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 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 -5.9636 2.7096 | + | M SBV 1 20 -5.9636 2.7096 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 21 22 | + | M SAL 2 2 21 22 |
| − | M SBL 2 1 22 | + | M SBL 2 1 22 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 22 -4.6883 2.9420 | + | M SBV 2 22 -4.6883 2.9420 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C3ANS0003 | + | ID FL1C3ANS0003 |
| − | KNApSAcK_ID C00006950 | + | KNApSAcK_ID C00006950 |
| − | NAME Kukulkanin A | + | NAME Kukulkanin A |
| − | CAS_RN 124704-82-1 | + | CAS_RN 124704-82-1 |
| − | FORMULA C17H16O5 | + | FORMULA C17H16O5 |
| − | EXACTMASS 300.099773622 | + | EXACTMASS 300.099773622 |
| − | AVERAGEMASS 300.30593999999996 | + | AVERAGEMASS 300.30593999999996 |
| − | SMILES COc(c2)ccc(c2)C=CC(=O)c(c1)c(O)c(OC)c(O)c1 | + | SMILES COc(c2)ccc(c2)C=CC(=O)c(c1)c(O)c(OC)c(O)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/
22 23 0 0 0 0 0 0 0 0999 V2000
-2.5101 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5101 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9538 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3975 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3975 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9538 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8412 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2849 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2712 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8273 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3883 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9493 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9493 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3883 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8273 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8412 -0.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0662 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9538 -0.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2246 0.0872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5101 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5101 0.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2246 0.5549 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
2 19 1 0 0 0 0
19 20 1 0 0 0 0
13 21 1 0 0 0 0
21 22 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 -5.9636 2.7096
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 22
M SMT 2 OCH3
M SBV 2 22 -4.6883 2.9420
S SKP 8
ID FL1C3ANS0003
KNApSAcK_ID C00006950
NAME Kukulkanin A
CAS_RN 124704-82-1
FORMULA C17H16O5
EXACTMASS 300.099773622
AVERAGEMASS 300.30593999999996
SMILES COc(c2)ccc(c2)C=CC(=O)c(c1)c(O)c(OC)c(O)c1
M END
