Mol:FLIA1LNP0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 32 0 0 0 0 0 0 0 0999 V2000 | + | 28 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9932 0.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9932 0.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9932 -0.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9932 -0.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4369 -0.7513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4369 -0.7513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8806 -0.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8806 -0.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8806 0.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8806 0.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4369 0.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4369 0.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3243 -0.7513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3243 -0.7513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2321 -0.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2321 -0.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2321 0.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2321 0.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3243 0.5334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3243 0.5334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7881 -0.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7881 -0.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7881 -1.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7881 -1.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3829 -1.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3829 -1.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9777 -1.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9777 -1.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9777 -0.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9777 -0.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3829 -0.4078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3829 -0.4078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3243 -1.3934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3243 -1.3934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4369 1.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4369 1.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9932 1.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9932 1.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5495 1.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5495 1.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5495 0.5334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5495 0.5334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5495 1.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5495 1.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0346 0.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0346 0.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6309 -1.6502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6309 -1.6502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0346 -1.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0346 -1.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6309 -0.5390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6309 -0.5390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0737 -1.3686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0737 -1.3686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7881 -1.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7881 -1.7811 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 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 1 1 0 0 0 0 | + | 21 1 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 14 24 1 0 0 0 0 | + | 14 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 15 1 0 0 0 0 | + | 26 15 1 0 0 0 0 |
| − | 12 27 1 0 0 0 0 | + | 12 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 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 27 28 | + | M SAL 1 2 27 28 |
| − | M SBL 1 1 31 | + | M SBL 1 1 31 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 31 -6.6223 2.6948 | + | M SBV 1 31 -6.6223 2.6948 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA1LNP0002 | + | ID FLIA1LNP0002 |
| − | KNApSAcK_ID C00009440 | + | KNApSAcK_ID C00009440 |
| − | NAME Jamaicin | + | NAME Jamaicin |
| − | CAS_RN 24211-36-7 | + | CAS_RN 24211-36-7 |
| − | FORMULA C22H18O6 | + | FORMULA C22H18O6 |
| − | EXACTMASS 378.110338308 | + | EXACTMASS 378.110338308 |
| − | AVERAGEMASS 378.37472 | + | AVERAGEMASS 378.37472 |
| − | SMILES c(C(=C5)C(c(c(O5)3)ccc(O4)c(C=CC(C)(C)4)3)=O)(c(OC)1)cc(O2)c(OC2)c1 | + | SMILES c(C(=C5)C(c(c(O5)3)ccc(O4)c(C=CC(C)(C)4)3)=O)(c(OC)1)cc(O2)c(OC2)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 32 0 0 0 0 0 0 0 0999 V2000
-1.9932 0.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9932 -0.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4369 -0.7513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8806 -0.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8806 0.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4369 0.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3243 -0.7513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2321 -0.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2321 0.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3243 0.5334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7881 -0.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7881 -1.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3829 -1.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9777 -1.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9777 -0.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3829 -0.4078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3243 -1.3934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4369 1.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9932 1.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5495 1.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5495 0.5334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5495 1.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0346 0.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6309 -1.6502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0346 -1.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6309 -0.5390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0737 -1.3686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7881 -1.7811 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
8 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
6 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 1 1 0 0 0 0
20 22 1 0 0 0 0
20 23 1 0 0 0 0
14 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 15 1 0 0 0 0
12 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 31
M SMT 1 ^OCH3
M SBV 1 31 -6.6223 2.6948
S SKP 8
ID FLIA1LNP0002
KNApSAcK_ID C00009440
NAME Jamaicin
CAS_RN 24211-36-7
FORMULA C22H18O6
EXACTMASS 378.110338308
AVERAGEMASS 378.37472
SMILES c(C(=C5)C(c(c(O5)3)ccc(O4)c(C=CC(C)(C)4)3)=O)(c(OC)1)cc(O2)c(OC2)c1
M END
