Mol:FL1CA9NR0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 31 0 0 0 0 0 0 0 0999 V2000 | + | 29 31 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.3985 1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3985 1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3985 0.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3985 0.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9548 0.3523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9548 0.3523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5111 0.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5111 0.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5111 1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5111 1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9548 1.6370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9548 1.6370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2653 0.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2653 0.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8216 0.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8216 0.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7092 0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7092 0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1482 0.7066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1482 0.7066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7092 -0.2677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7092 -0.2677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1482 1.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1482 1.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4044 1.6638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4044 1.6638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9571 1.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9571 1.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9571 0.7066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9571 0.7066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4044 0.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4044 0.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4044 -0.2504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4044 -0.2504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8810 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8810 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5096 1.6638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5096 1.6638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7007 1.6638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7007 1.6638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4245 0.4745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4245 0.4745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9681 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9681 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9681 -0.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9681 -0.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4245 -0.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4245 -0.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8810 -0.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8810 -0.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5111 0.4742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5111 0.4742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3747 -0.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3747 -0.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6841 -0.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6841 -0.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5598 -1.6638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5598 -1.6638 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 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
| − | 2 8 1 0 0 0 0 | + | 2 8 1 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 18 15 1 6 0 0 0 | + | 18 15 1 6 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 12 20 1 0 0 0 0 | + | 12 20 1 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 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 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
| − | 25 27 1 1 0 0 0 | + | 25 27 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CA9NR0001 | + | ID FL1CA9NR0001 |
| − | KNApSAcK_ID C00007129 | + | KNApSAcK_ID C00007129 |
| − | NAME Linderachalcone | + | NAME Linderachalcone |
| − | CAS_RN 120948-04-1 | + | CAS_RN 120948-04-1 |
| − | FORMULA C25H28O4 | + | FORMULA C25H28O4 |
| − | EXACTMASS 392.19875938399997 | + | EXACTMASS 392.19875938399997 |
| − | AVERAGEMASS 392.48742 | + | AVERAGEMASS 392.48742 |
| − | SMILES O=C(c(c(O)2)c(cc(c(C(C3C(C)C)C=C(C)CC3)2)O)O)C=Cc(c1)cccc1 | + | SMILES O=C(c(c(O)2)c(cc(c(C(C3C(C)C)C=C(C)CC3)2)O)O)C=Cc(c1)cccc1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 31 0 0 0 0 0 0 0 0999 V2000
2.3985 1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3985 0.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9548 0.3523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5111 0.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5111 1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9548 1.6370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2653 0.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8216 0.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7092 0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1482 0.7066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7092 -0.2677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1482 1.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4044 1.6638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9571 1.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9571 0.7066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4044 0.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4044 -0.2504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8810 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5096 1.6638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7007 1.6638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4245 0.4745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9681 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9681 -0.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4245 -0.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8810 -0.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5111 0.4742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3747 -0.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6841 -0.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5598 -1.6638 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
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 1 0 0 0 0
10 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 10 1 0 0 0 0
16 17 1 0 0 0 0
18 15 1 6 0 0 0
14 19 1 0 0 0 0
12 20 1 0 0 0 0
18 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 18 1 0 0 0 0
22 26 1 0 0 0 0
25 27 1 1 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
S SKP 8
ID FL1CA9NR0001
KNApSAcK_ID C00007129
NAME Linderachalcone
CAS_RN 120948-04-1
FORMULA C25H28O4
EXACTMASS 392.19875938399997
AVERAGEMASS 392.48742
SMILES O=C(c(c(O)2)c(cc(c(C(C3C(C)C)C=C(C)CC3)2)O)O)C=Cc(c1)cccc1
M END
