Mol:FLIC1LNP0008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 30 0 0 0 0 0 0 0 0999 V2000 | + | 27 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4424 0.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4424 0.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4424 0.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4424 0.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8861 -0.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8861 -0.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3298 0.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3298 0.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3298 0.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3298 0.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8861 1.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8861 1.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2265 -0.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2265 -0.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7828 0.3062 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.7828 0.3062 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.7828 0.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7828 0.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2265 1.2697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2265 1.2697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3389 -0.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3389 -0.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3389 -0.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3389 -0.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9337 -1.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9337 -1.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5285 -0.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5285 -0.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5285 -0.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5285 -0.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9337 0.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9337 0.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1233 -1.0451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1233 -1.0451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9985 1.2696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9985 1.2696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5550 0.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5550 0.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5550 0.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5550 0.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9987 -0.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9987 -0.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1233 0.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1233 0.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5550 1.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5550 1.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9337 -2.0451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9337 -2.0451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9337 -3.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9337 -3.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6244 -0.6323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6244 -0.6323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3709 -0.5356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3709 -0.5356 0.0000 C 0 0 0 0 0 0 0 0 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 1 0 0 0 0 | + | 8 9 1 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 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 2 1 0 0 0 0 | + | 21 2 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 19 23 1 0 0 0 0 | + | 19 23 1 0 0 0 0 |
| − | 13 24 1 0 0 0 0 | + | 13 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 12 26 1 0 0 0 0 | + | 12 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 26 27 | + | M SAL 2 2 26 27 |
| − | M SBL 2 1 29 | + | M SBL 2 1 29 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 29 0.6244 -0.6323 | + | M SVB 2 29 0.6244 -0.6323 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 27 1.5163 -1.2166 | + | M SVB 1 27 1.5163 -1.2166 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIC1LNP0008 | + | ID FLIC1LNP0008 |
| − | KNApSAcK_ID C00009733 | + | KNApSAcK_ID C00009733 |
| − | NAME Sphaerosinin;Spherosinin | + | NAME Sphaerosinin;Spherosinin |
| − | CAS_RN 56495-96-6 | + | CAS_RN 56495-96-6 |
| − | FORMULA C22H24O5 | + | FORMULA C22H24O5 |
| − | EXACTMASS 368.162373878 | + | EXACTMASS 368.162373878 |
| − | AVERAGEMASS 368.42296000000005 | + | AVERAGEMASS 368.42296000000005 |
| − | SMILES O(c(c(O)4)c(OC)c(cc4)C(C1)COc(c2)c(cc(C=3)c2OC(C)(C)C3)1)C | + | SMILES O(c(c(O)4)c(OC)c(cc4)C(C1)COc(c2)c(cc(C=3)c2OC(C)(C)C3)1)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 30 0 0 0 0 0 0 0 0999 V2000
-1.4424 0.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4424 0.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8861 -0.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3298 0.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3298 0.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8861 1.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2265 -0.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7828 0.3062 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.7828 0.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2265 1.2697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3389 -0.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3389 -0.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9337 -1.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5285 -0.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5285 -0.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9337 0.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1233 -1.0451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9985 1.2696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5550 0.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5550 0.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9987 -0.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1233 0.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5550 1.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9337 -2.0451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9337 -3.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6244 -0.6323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3709 -0.5356 0.0000 C 0 0 0 0 0 0 0 0 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 1 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 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 11 2 0 0 0 0
1 2 1 0 0 0 0
14 17 1 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 2 1 0 0 0 0
19 22 1 0 0 0 0
19 23 1 0 0 0 0
13 24 1 0 0 0 0
24 25 1 0 0 0 0
12 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 26 27
M SBL 2 1 29
M SMT 2 OCH3
M SVB 2 29 0.6244 -0.6323
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 1.5163 -1.2166
S SKP 8
ID FLIC1LNP0008
KNApSAcK_ID C00009733
NAME Sphaerosinin;Spherosinin
CAS_RN 56495-96-6
FORMULA C22H24O5
EXACTMASS 368.162373878
AVERAGEMASS 368.42296000000005
SMILES O(c(c(O)4)c(OC)c(cc4)C(C1)COc(c2)c(cc(C=3)c2OC(C)(C)C3)1)C
M END
