Mol:FLIHALNI0001
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 30 0 0 0 0 0 0 0 0999 V2000 | + | 28 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4502 0.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4502 0.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4502 0.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4502 0.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8939 0.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8939 0.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3376 0.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3376 0.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3376 0.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3376 0.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8939 1.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8939 1.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2187 0.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2187 0.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7750 0.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7750 0.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7750 0.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7750 0.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2187 1.2938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2187 1.2938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3311 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3311 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3311 -0.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3311 -0.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9259 -1.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9259 -1.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5207 -0.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5207 -0.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5207 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5207 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9259 0.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9259 0.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1149 -1.0207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1149 -1.0207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3311 1.2936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3311 1.2936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7369 -1.0207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7369 -1.0207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0063 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0063 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0063 -0.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0063 -0.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5612 -0.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5612 -0.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5612 -1.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5612 -1.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1149 -0.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1149 -0.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8074 1.5913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8074 1.5913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3074 2.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3074 2.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3303 -0.1515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3303 -0.1515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6158 -0.5640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6158 -0.5640 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 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 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 |
| − | 9 18 2 0 0 0 0 | + | 9 18 2 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 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 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 1 25 1 0 0 0 0 | + | 1 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 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 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 27 28 | + | M SAL 2 2 27 28 |
| − | M SBL 2 1 29 | + | M SBL 2 1 29 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 29 -1.3303 -0.1515 | + | M SVB 2 29 -1.3303 -0.1515 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 25 26 | + | M SAL 1 2 25 26 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 27 -1.8074 1.5913 | + | M SVB 1 27 -1.8074 1.5913 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIHALNI0001 | + | ID FLIHALNI0001 |
| − | KNApSAcK_ID C00009785 | + | KNApSAcK_ID C00009785 |
| − | NAME Glycyrin;3-(2,4-Dihydroxyphenyl)-5,7-dimethoxy-6-prenylcoumarin | + | NAME Glycyrin;3-(2,4-Dihydroxyphenyl)-5,7-dimethoxy-6-prenylcoumarin |
| − | CAS_RN 66056-18-6 | + | CAS_RN 66056-18-6 |
| − | FORMULA C22H22O6 | + | FORMULA C22H22O6 |
| − | EXACTMASS 382.141638436 | + | EXACTMASS 382.141638436 |
| − | AVERAGEMASS 382.40648000000004 | + | AVERAGEMASS 382.40648000000004 |
| − | SMILES C(=C2c(c3O)ccc(c3)O)c(c(OC)1)c(OC2=O)cc(OC)c1CC=C(C)C | + | SMILES C(=C2c(c3O)ccc(c3)O)c(c(OC)1)c(OC2=O)cc(OC)c1CC=C(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 30 0 0 0 0 0 0 0 0999 V2000
-1.4502 0.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4502 0.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8939 0.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3376 0.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3376 0.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8939 1.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2187 0.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7750 0.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7750 0.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2187 1.2938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3311 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3311 -0.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9259 -1.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5207 -0.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5207 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9259 0.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1149 -1.0207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3311 1.2936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7369 -1.0207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0063 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0063 -0.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5612 -0.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5612 -1.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1149 -0.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8074 1.5913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3074 2.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3303 -0.1515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6158 -0.5640 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 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 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
9 18 2 0 0 0 0
12 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
1 25 1 0 0 0 0
25 26 1 0 0 0 0
3 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 27 28
M SBL 2 1 29
M SMT 2 OCH3
M SVB 2 29 -1.3303 -0.1515
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 -1.8074 1.5913
S SKP 8
ID FLIHALNI0001
KNApSAcK_ID C00009785
NAME Glycyrin;3-(2,4-Dihydroxyphenyl)-5,7-dimethoxy-6-prenylcoumarin
CAS_RN 66056-18-6
FORMULA C22H22O6
EXACTMASS 382.141638436
AVERAGEMASS 382.40648000000004
SMILES C(=C2c(c3O)ccc(c3)O)c(c(OC)1)c(OC2=O)cc(OC)c1CC=C(C)C
M END
