Mol:FL3F1AGS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.7041 0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7041 0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7041 -0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7041 -0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1478 -0.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1478 -0.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5915 -0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5915 -0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5915 0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5915 0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1478 0.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1478 0.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0352 -0.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0352 -0.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4789 -0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4789 -0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4789 0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4789 0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0352 0.3269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0352 0.3269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0352 -1.4587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0352 -1.4587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9228 0.3267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9228 0.3267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3558 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3558 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2112 0.3267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2112 0.3267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2112 0.9814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2112 0.9814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3558 1.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3558 1.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9228 0.9814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9228 0.9814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2602 0.3267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2602 0.3267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7780 1.3087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7780 1.3087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1328 1.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1328 1.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5962 0.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5962 0.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3550 0.8715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3550 0.8715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0143 0.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0143 0.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5511 1.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5511 1.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7922 1.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7922 1.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6361 1.4082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6361 1.4082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2186 1.4587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2186 1.4587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1273 0.6996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1273 0.6996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5457 0.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5457 0.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2602 0.1150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2602 0.1150 0.0000 O 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 21 19 1 0 0 0 0 | + | 21 19 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 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 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 32 -5.1898 3.2963 | + | M SBV 1 32 -5.1898 3.2963 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3F1AGS0002 | + | ID FL3F1AGS0002 |
| − | KNApSAcK_ID C00004117 | + | KNApSAcK_ID C00004117 |
| − | NAME Sophoraflavone B | + | NAME Sophoraflavone B |
| − | CAS_RN 22052-75-1 | + | CAS_RN 22052-75-1 |
| − | FORMULA C21H20O9 | + | FORMULA C21H20O9 |
| − | EXACTMASS 416.11073223799997 | + | EXACTMASS 416.11073223799997 |
| − | AVERAGEMASS 416.37809999999996 | + | AVERAGEMASS 416.37809999999996 |
| − | SMILES c(c1C(=C4)Oc(c3C(=O)4)cc(O)cc3)cc(OC(O2)C(O)C(O)C(O)C2CO)cc1 | + | SMILES c(c1C(=C4)Oc(c3C(=O)4)cc(O)cc3)cc(OC(O2)C(O)C(O)C(O)C2CO)cc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-3.7041 0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7041 -0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1478 -0.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5915 -0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5915 0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1478 0.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0352 -0.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4789 -0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4789 0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0352 0.3269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0352 -1.4587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9228 0.3267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3558 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2112 0.3267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2112 0.9814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3558 1.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9228 0.9814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2602 0.3267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7780 1.3087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1328 1.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5962 0.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3550 0.8715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0143 0.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5511 1.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7922 1.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6361 1.4082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2186 1.4587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1273 0.6996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5457 0.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2602 0.1150 0.0000 O 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
7 11 2 0 0 0 0
9 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 17 2 0 0 0 0
17 12 1 0 0 0 0
1 18 1 0 0 0 0
15 19 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
21 19 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
23 29 1 0 0 0 0
29 30 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 32
M SMT 1 CH2OH
M SBV 1 32 -5.1898 3.2963
S SKP 8
ID FL3F1AGS0002
KNApSAcK_ID C00004117
NAME Sophoraflavone B
CAS_RN 22052-75-1
FORMULA C21H20O9
EXACTMASS 416.11073223799997
AVERAGEMASS 416.37809999999996
SMILES c(c1C(=C4)Oc(c3C(=O)4)cc(O)cc3)cc(OC(O2)C(O)C(O)C(O)C2CO)cc1
M END
