Mol:FL1C1ANI0005
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 27 0 0 0 0 0 0 0 0999 V2000 | + | 26 27 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.7328 0.9574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7328 0.9574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7328 0.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7328 0.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2891 -0.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2891 -0.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8455 0.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8455 0.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8455 0.9574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8455 0.9574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2891 1.2786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2891 1.2786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4759 0.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4759 0.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0322 -0.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0322 -0.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0802 -0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0802 -0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6412 0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6412 0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0802 -0.6468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0802 -0.6468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6412 0.9657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6412 0.9657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1938 1.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1938 1.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7464 0.9657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7464 0.9657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7464 0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7464 0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1938 0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1938 0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4018 1.2786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4018 1.2786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2991 0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2991 0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1938 -0.6296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1938 -0.6296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2991 -0.6295 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.2991 -0.6295 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -1.7478 -0.9478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7478 -0.9478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8504 -0.9478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8504 -0.9478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4018 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4018 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8504 -1.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8504 -1.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1037 1.5844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1037 1.5844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6038 2.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6038 2.4504 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 |
| − | 17 5 1 0 0 0 0 | + | 17 5 1 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 19 16 1 0 0 0 0 | + | 19 16 1 0 0 0 0 |
| − | 18 20 1 0 0 0 0 | + | 18 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 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 |
| − | 14 25 1 0 0 0 0 | + | 14 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 26 | + | M SBL 1 1 26 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 26 -2.1037 1.5844 | + | M SVB 1 26 -2.1037 1.5844 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1ANI0005 | + | ID FL1C1ANI0005 |
| − | KNApSAcK_ID C00007065 | + | KNApSAcK_ID C00007065 |
| − | NAME Xanthoangelol D | + | NAME Xanthoangelol D |
| − | CAS_RN 132998-83-5 | + | CAS_RN 132998-83-5 |
| − | FORMULA C21H22O5 | + | FORMULA C21H22O5 |
| − | EXACTMASS 354.146723814 | + | EXACTMASS 354.146723814 |
| − | AVERAGEMASS 354.39638 | + | AVERAGEMASS 354.39638 |
| − | SMILES CC(=C)C(O)Cc(c1O)c(ccc1C(=O)C=Cc(c2)ccc(O)c2)OC | + | SMILES CC(=C)C(O)Cc(c1O)c(ccc1C(=O)C=Cc(c2)ccc(O)c2)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 27 0 0 0 0 0 0 0 0999 V2000
1.7328 0.9574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7328 0.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2891 -0.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8455 0.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8455 0.9574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2891 1.2786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4759 0.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0322 -0.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0802 -0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6412 0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0802 -0.6468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6412 0.9657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1938 1.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7464 0.9657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7464 0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1938 0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4018 1.2786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2991 0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1938 -0.6296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2991 -0.6295 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.7478 -0.9478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8504 -0.9478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4018 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8504 -1.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1037 1.5844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6038 2.4504 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
17 5 1 0 0 0 0
15 18 1 0 0 0 0
19 16 1 0 0 0 0
18 20 1 0 0 0 0
20 21 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
14 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 26
M SMT 1 OCH3
M SVB 1 26 -2.1037 1.5844
S SKP 8
ID FL1C1ANI0005
KNApSAcK_ID C00007065
NAME Xanthoangelol D
CAS_RN 132998-83-5
FORMULA C21H22O5
EXACTMASS 354.146723814
AVERAGEMASS 354.39638
SMILES CC(=C)C(O)Cc(c1O)c(ccc1C(=O)C=Cc(c2)ccc(O)c2)OC
M END
