Mol:FLIA1CNP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 30 0 0 0 0 0 0 0 0999 V2000 | + | 26 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7104 0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7104 0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7104 -0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7104 -0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1541 -0.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1541 -0.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5978 -0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5978 -0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5978 0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5978 0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1541 0.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1541 0.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0415 -0.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0415 -0.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5148 -0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5148 -0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5148 0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5148 0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0415 0.9177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0415 0.9177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0709 -0.3669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0709 -0.3669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0709 -1.0537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0709 -1.0537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6656 -1.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6656 -1.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2604 -1.0537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2604 -1.0537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2604 -0.3669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2604 -0.3669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6656 -0.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6656 -0.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0415 -1.0091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0415 -1.0091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2673 0.8853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2673 0.8853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1541 1.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1541 1.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7104 1.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7104 1.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2667 1.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2667 1.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7708 1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7708 1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4223 2.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4223 2.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8084 -2.0689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8084 -2.0689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4915 -2.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4915 -2.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7708 -1.5132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7708 -1.5132 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 |
| − | 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 18 1 0 0 0 0 | + | 21 18 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 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 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 14 1 0 0 0 0 | + | 26 14 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA1CNP0001 | + | ID FLIA1CNP0001 |
| − | KNApSAcK_ID C00009438 | + | KNApSAcK_ID C00009438 |
| − | NAME Calopogoniumisoflavone B;6'',6''-Dimethyl-3',4'-methylenedioxypyrano[2'',3'':7,8]isoflavone | + | NAME Calopogoniumisoflavone B;6'',6''-Dimethyl-3',4'-methylenedioxypyrano[2'',3'':7,8]isoflavone |
| − | CAS_RN 62502-14-1 | + | CAS_RN 62502-14-1 |
| − | FORMULA C21H16O5 | + | FORMULA C21H16O5 |
| − | EXACTMASS 348.099773622 | + | EXACTMASS 348.099773622 |
| − | AVERAGEMASS 348.34874 | + | AVERAGEMASS 348.34874 |
| − | SMILES O(C1)c(c2)c(ccc(C(C(=O)5)=COc(c54)c(c(cc4)3)C=CC(C)(C)O3)2)O1 | + | SMILES O(C1)c(c2)c(ccc(C(C(=O)5)=COc(c54)c(c(cc4)3)C=CC(C)(C)O3)2)O1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 30 0 0 0 0 0 0 0 0999 V2000
-1.7104 0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7104 -0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1541 -0.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5978 -0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5978 0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1541 0.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0415 -0.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5148 -0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5148 0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0415 0.9177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0709 -0.3669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0709 -1.0537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6656 -1.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2604 -1.0537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2604 -0.3669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6656 -0.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0415 -1.0091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2673 0.8853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1541 1.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7104 1.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2667 1.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7708 1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4223 2.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8084 -2.0689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4915 -2.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7708 -1.5132 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
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
1 18 1 0 0 0 0
6 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 18 1 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
13 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 14 1 0 0 0 0
S SKP 8
ID FLIA1CNP0001
KNApSAcK_ID C00009438
NAME Calopogoniumisoflavone B;6'',6''-Dimethyl-3',4'-methylenedioxypyrano[2'',3'':7,8]isoflavone
CAS_RN 62502-14-1
FORMULA C21H16O5
EXACTMASS 348.099773622
AVERAGEMASS 348.34874
SMILES O(C1)c(c2)c(ccc(C(C(=O)5)=COc(c54)c(c(cc4)3)C=CC(C)(C)O3)2)O1
M END
