Mol:FLIAAANP0002
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 28 0 0 0 0 0 0 0 0999 V2000 | + | 25 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4074 0.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4074 0.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4074 0.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4074 0.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8511 -0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8511 -0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2948 0.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2948 0.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2948 0.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2948 0.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8511 1.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8511 1.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2615 -0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2615 -0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8178 0.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8178 0.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8178 0.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8178 0.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2615 1.0620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2615 1.0620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3739 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3739 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3739 -0.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3739 -0.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9687 -1.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9687 -1.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5634 -0.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5634 -0.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5634 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5634 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9687 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9687 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2615 -0.8648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2615 -0.8648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8511 -0.8648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8511 -0.8648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9637 1.0620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9637 1.0620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5200 0.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5200 0.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5200 0.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5200 0.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9637 -0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9637 -0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8156 1.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8156 1.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1576 0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1576 0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1576 -1.2524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1576 -1.2524 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 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 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 2 1 0 0 0 0 | + | 22 2 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | 14 25 1 0 0 0 0 | + | 14 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAAANP0002 | + | ID FLIAAANP0002 |
| − | KNApSAcK_ID C00009492 | + | KNApSAcK_ID C00009492 |
| − | NAME Alpinumisoflavone | + | NAME Alpinumisoflavone |
| − | CAS_RN 34086-50-5 | + | CAS_RN 34086-50-5 |
| − | FORMULA C20H16O5 | + | FORMULA C20H16O5 |
| − | EXACTMASS 336.099773622 | + | EXACTMASS 336.099773622 |
| − | AVERAGEMASS 336.33804000000003 | + | AVERAGEMASS 336.33804000000003 |
| − | SMILES c(C3=O)(c2O)c(OC=C3c(c4)ccc(O)c4)cc(c12)OC(C=C1)(C)C | + | SMILES c(C3=O)(c2O)c(OC=C3c(c4)ccc(O)c4)cc(c12)OC(C=C1)(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 28 0 0 0 0 0 0 0 0999 V2000
-1.4074 0.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4074 0.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8511 -0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2948 0.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2948 0.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8511 1.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2615 -0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8178 0.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8178 0.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2615 1.0620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3739 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3739 -0.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9687 -1.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5634 -0.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5634 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9687 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2615 -0.8648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8511 -0.8648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9637 1.0620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5200 0.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5200 0.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9637 -0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8156 1.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1576 0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1576 -1.2524 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 2 1 0 0 0 0
20 23 1 0 0 0 0
20 24 1 0 0 0 0
14 25 1 0 0 0 0
S SKP 8
ID FLIAAANP0002
KNApSAcK_ID C00009492
NAME Alpinumisoflavone
CAS_RN 34086-50-5
FORMULA C20H16O5
EXACTMASS 336.099773622
AVERAGEMASS 336.33804000000003
SMILES c(C3=O)(c2O)c(OC=C3c(c4)ccc(O)c4)cc(c12)OC(C=C1)(C)C
M END
