Mol:FLID1ANI0001
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 29 0 0 0 0 0 0 0 0999 V2000 | + | 26 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5494 1.8291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5494 1.8291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5494 1.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5494 1.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0490 0.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0490 0.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5485 1.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5485 1.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5485 1.8291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5485 1.8291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0490 2.1180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0490 2.1180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0481 0.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0481 0.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4524 1.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4524 1.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4524 1.8291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4524 1.8291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0481 2.1180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0481 2.1180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9906 2.0838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9906 2.0838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0721 0.3971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0721 0.3971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6468 0.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6468 0.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8818 0.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8818 0.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9864 -0.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9864 -0.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5611 -0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5611 -0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7962 0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7962 0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4565 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4565 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1466 1.6521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1466 1.6521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8444 0.5025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8444 0.5025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9906 -0.4571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9906 -0.4571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7515 -0.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7515 -0.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0910 -1.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0910 -1.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8567 -1.6519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8567 -1.6519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1953 -2.1180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1953 -2.1180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2837 -1.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2837 -1.7122 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 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 |
| − | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
| − | 7 12 1 0 0 0 0 | + | 7 12 1 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 8 1 0 0 0 0 | + | 14 8 1 0 0 0 0 |
| − | 13 15 1 0 0 0 0 | + | 13 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 14 1 0 0 0 0 | + | 18 14 1 0 0 0 0 |
| − | 8 19 1 6 0 0 0 | + | 8 19 1 6 0 0 0 |
| − | 7 20 1 6 0 0 0 | + | 7 20 1 6 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLID1ANI0001 | + | ID FLID1ANI0001 |
| − | KNApSAcK_ID C00002558 | + | KNApSAcK_ID C00002558 |
| − | NAME (-)-Phaseollidin | + | NAME (-)-Phaseollidin |
| − | CAS_RN 37831-70-2 | + | CAS_RN 37831-70-2 |
| − | FORMULA C20H20O4 | + | FORMULA C20H20O4 |
| − | EXACTMASS 324.136159128 | + | EXACTMASS 324.136159128 |
| − | AVERAGEMASS 324.37039999999996 | + | AVERAGEMASS 324.37039999999996 |
| − | SMILES c(O)(c4)ccc(c43)C([H])(C(CO3)([H])1)Oc(c(CC=C(C)C)2)c1ccc(O)2 | + | SMILES c(O)(c4)ccc(c43)C([H])(C(CO3)([H])1)Oc(c(CC=C(C)C)2)c1ccc(O)2 |
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 29 0 0 0 0 0 0 0 0999 V2000
-1.5494 1.8291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5494 1.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0490 0.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5485 1.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5485 1.8291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0490 2.1180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0481 0.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4524 1.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4524 1.8291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0481 2.1180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9906 2.0838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0721 0.3971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6468 0.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8818 0.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9864 -0.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5611 -0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7962 0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4565 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1466 1.6521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8444 0.5025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9906 -0.4571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7515 -0.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0910 -1.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8567 -1.6519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1953 -2.1180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2837 -1.7122 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 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
1 11 1 0 0 0 0
7 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 8 1 0 0 0 0
13 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 14 1 0 0 0 0
8 19 1 6 0 0 0
7 20 1 6 0 0 0
16 21 1 0 0 0 0
15 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
S SKP 8
ID FLID1ANI0001
KNApSAcK_ID C00002558
NAME (-)-Phaseollidin
CAS_RN 37831-70-2
FORMULA C20H20O4
EXACTMASS 324.136159128
AVERAGEMASS 324.37039999999996
SMILES c(O)(c4)ccc(c43)C([H])(C(CO3)([H])1)Oc(c(CC=C(C)C)2)c1ccc(O)2
M END
