Mol:FLIDAANF0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 29 0 0 0 0 0 0 0 0999 V2000 | + | 25 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6936 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6936 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6936 -0.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6936 -0.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1373 -1.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1373 -1.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5810 -0.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5810 -0.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5810 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5810 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1373 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1373 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0247 -1.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0247 -1.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5316 -0.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5316 -0.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5316 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5316 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0247 0.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0247 0.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0877 -1.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0877 -1.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0877 -1.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0877 -1.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6825 -2.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6825 -2.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2773 -1.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2773 -1.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2773 -1.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2773 -1.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6825 -0.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6825 -0.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0188 -1.7170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0188 -1.7170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8715 -2.0603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8715 -2.0603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2708 0.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2708 0.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9097 0.9496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9097 0.9496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1710 0.3628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1710 0.3628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2307 1.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2307 1.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9104 2.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9104 2.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8715 1.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8715 1.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1373 -1.6727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1373 -1.6727 0.0000 O 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 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 |
| − | 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 |
| − | 7 17 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 1 1 0 0 0 0 | + | 21 1 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 3 25 1 0 0 0 0 | + | 3 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIDAANF0001 | + | ID FLIDAANF0001 |
| − | KNApSAcK_ID C00009645 | + | KNApSAcK_ID C00009645 |
| − | NAME Apiocarpin | + | NAME Apiocarpin |
| − | CAS_RN 83919-96-4 | + | CAS_RN 83919-96-4 |
| − | FORMULA C20H18O5 | + | FORMULA C20H18O5 |
| − | EXACTMASS 338.115423686 | + | EXACTMASS 338.115423686 |
| − | AVERAGEMASS 338.35392 | + | AVERAGEMASS 338.35392 |
| − | SMILES c(c25)(c1cc(c2C(C(CO5)3)Oc(c4)c3ccc(O)4)O)CC(O1)C(C)=C | + | SMILES c(c25)(c1cc(c2C(C(CO5)3)Oc(c4)c3ccc(O)4)O)CC(O1)C(C)=C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 29 0 0 0 0 0 0 0 0999 V2000
-1.6936 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6936 -0.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1373 -1.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5810 -0.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5810 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1373 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0247 -1.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5316 -0.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5316 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0247 0.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0877 -1.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0877 -1.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6825 -2.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2773 -1.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2773 -1.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6825 -0.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0188 -1.7170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8715 -2.0603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2708 0.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9097 0.9496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1710 0.3628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2307 1.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9104 2.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8715 1.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1373 -1.6727 0.0000 O 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 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
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
7 17 1 0 0 0 0
1 2 1 0 0 0 0
12 17 1 0 0 0 0
14 18 1 0 0 0 0
6 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 1 1 0 0 0 0
20 22 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
3 25 1 0 0 0 0
S SKP 8
ID FLIDAANF0001
KNApSAcK_ID C00009645
NAME Apiocarpin
CAS_RN 83919-96-4
FORMULA C20H18O5
EXACTMASS 338.115423686
AVERAGEMASS 338.35392
SMILES c(c25)(c1cc(c2C(C(CO5)3)Oc(c4)c3ccc(O)4)O)CC(O1)C(C)=C
M END
