Mol:FL1C1ANP0008
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 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.5537 0.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5537 0.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5537 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5537 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1100 -0.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1100 -0.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6663 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6663 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6663 0.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6663 0.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1100 0.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1100 0.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2967 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2967 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8530 -0.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8530 -0.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2594 -0.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2594 -0.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8203 -0.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8203 -0.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2594 -1.1672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2594 -1.1672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8203 0.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8203 0.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3730 0.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3730 0.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9256 0.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9256 0.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9256 -0.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9256 -0.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3730 -0.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3730 -0.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2224 0.7581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2224 0.7581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4781 -0.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4781 -0.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0295 -0.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0295 -0.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3730 -1.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3730 -1.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4781 0.7614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4781 0.7614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0295 0.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0295 0.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5796 0.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5796 0.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2235 1.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2235 1.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5323 -0.7053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5323 -0.7053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3984 -1.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3984 -1.2052 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 |
| − | 5 17 1 0 0 0 0 | + | 5 17 1 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 19 1 0 0 0 0 | + | 22 19 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 4 25 1 0 0 0 0 | + | 4 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 25 26 | + | M SAL 1 2 25 26 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 27 2.8651 -0.4116 | + | M SVB 1 27 2.8651 -0.4116 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1ANP0008 | + | ID FL1C1ANP0008 |
| − | KNApSAcK_ID C00007094 | + | KNApSAcK_ID C00007094 |
| − | NAME Pongachalcone II | + | NAME Pongachalcone II |
| − | CAS_RN 64173-09-7 | + | CAS_RN 64173-09-7 |
| − | FORMULA C21H20O5 | + | FORMULA C21H20O5 |
| − | EXACTMASS 352.13107375 | + | EXACTMASS 352.13107375 |
| − | AVERAGEMASS 352.3805 | + | AVERAGEMASS 352.3805 |
| − | SMILES c(c1C=CC(c(c3O)ccc(c32)OC(C=C2)(C)C)=O)c(c(O)cc1)OC | + | SMILES c(c1C=CC(c(c3O)ccc(c32)OC(C=C2)(C)C)=O)c(c(O)cc1)OC |
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 28 0 0 0 0 0 0 0 0999 V2000
1.5537 0.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5537 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1100 -0.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6663 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6663 0.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1100 0.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2967 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8530 -0.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2594 -0.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8203 -0.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2594 -1.1672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8203 0.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3730 0.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9256 0.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9256 -0.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3730 -0.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2224 0.7581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4781 -0.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0295 -0.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3730 -1.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4781 0.7614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0295 0.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5796 0.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2235 1.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5323 -0.7053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3984 -1.2052 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
5 17 1 0 0 0 0
15 18 1 0 0 0 0
18 19 2 0 0 0 0
16 20 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
22 19 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
4 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 2.8651 -0.4116
S SKP 8
ID FL1C1ANP0008
KNApSAcK_ID C00007094
NAME Pongachalcone II
CAS_RN 64173-09-7
FORMULA C21H20O5
EXACTMASS 352.13107375
AVERAGEMASS 352.3805
SMILES c(c1C=CC(c(c3O)ccc(c32)OC(C=C2)(C)C)=O)c(c(O)cc1)OC
M END
