Mol:FLIHALNP0002
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 31 0 0 0 0 0 0 0 0999 V2000 | + | 28 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4490 0.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4490 0.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4490 -0.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4490 -0.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8927 -0.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8927 -0.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3364 -0.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3364 -0.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3364 0.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3364 0.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8927 0.8374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8927 0.8374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2199 -0.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2199 -0.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7762 -0.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7762 -0.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7762 0.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7762 0.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2199 0.8374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2199 0.8374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3323 -0.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3323 -0.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3323 -1.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3323 -1.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9271 -1.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9271 -1.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5219 -1.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5219 -1.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5219 -0.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5219 -0.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9271 -0.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9271 -0.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0051 -0.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0051 -0.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0051 0.8373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0051 0.8373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3323 0.8373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3323 0.8373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9271 0.5823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9271 0.5823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1161 -1.4771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1161 -1.4771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5612 0.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5612 0.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5612 -0.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5612 -0.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5612 1.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5612 1.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0656 0.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0656 0.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1161 1.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1161 1.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3291 -0.6079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3291 -0.6079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6146 -1.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6146 -1.0204 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 2 0 0 0 0 | + | 7 8 2 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 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 |
| − | 2 17 1 0 0 0 0 | + | 2 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 9 19 2 0 0 0 0 | + | 9 19 2 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 18 22 1 0 0 0 0 | + | 18 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 17 1 0 0 0 0 | + | 23 17 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 3 27 1 0 0 0 0 | + | 3 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 30 | + | M SBL 1 1 30 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 30 -6.3982 4.0269 | + | M SBV 1 30 -6.3982 4.0269 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIHALNP0002 | + | ID FLIHALNP0002 |
| − | KNApSAcK_ID C00010042 | + | KNApSAcK_ID C00010042 |
| − | NAME Licopyranocoumarin | + | NAME Licopyranocoumarin |
| − | CAS_RN 117038-80-9 | + | CAS_RN 117038-80-9 |
| − | FORMULA C21H20O7 | + | FORMULA C21H20O7 |
| − | EXACTMASS 384.120902994 | + | EXACTMASS 384.120902994 |
| − | AVERAGEMASS 384.37929999999994 | + | AVERAGEMASS 384.37929999999994 |
| − | SMILES C(=C(c(c4)c(O)cc(O)c4)3)c(c(OC(=O)3)1)c(c(C2)c(OC(C2)(C)CO)c1)OC | + | SMILES C(=C(c(c4)c(O)cc(O)c4)3)c(c(OC(=O)3)1)c(c(C2)c(OC(C2)(C)CO)c1)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 31 0 0 0 0 0 0 0 0999 V2000
-1.4490 0.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4490 -0.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8927 -0.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3364 -0.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3364 0.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8927 0.8374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2199 -0.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7762 -0.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7762 0.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2199 0.8374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3323 -0.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3323 -1.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9271 -1.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5219 -1.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5219 -0.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9271 -0.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0051 -0.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0051 0.8373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3323 0.8373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9271 0.5823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1161 -1.4771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5612 0.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5612 -0.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5612 1.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0656 0.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1161 1.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3291 -0.6079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6146 -1.0204 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 2 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 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
2 17 1 0 0 0 0
1 18 1 0 0 0 0
9 19 2 0 0 0 0
16 20 1 0 0 0 0
14 21 1 0 0 0 0
18 22 1 0 0 0 0
22 23 1 0 0 0 0
23 17 1 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
24 26 1 0 0 0 0
3 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 30
M SMT 1 OCH3
M SBV 1 30 -6.3982 4.0269
S SKP 8
ID FLIHALNP0002
KNApSAcK_ID C00010042
NAME Licopyranocoumarin
CAS_RN 117038-80-9
FORMULA C21H20O7
EXACTMASS 384.120902994
AVERAGEMASS 384.37929999999994
SMILES C(=C(c(c4)c(O)cc(O)c4)3)c(c(OC(=O)3)1)c(c(C2)c(OC(C2)(C)CO)c1)OC
M END
