Mol:FLNFA9NP0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.9336 0.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9336 0.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3773 0.7346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3773 0.7346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1788 0.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1788 0.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1788 -0.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1788 -0.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9336 -0.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9336 -0.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3773 -0.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3773 -0.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4897 0.7345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4897 0.7345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3773 1.3767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3773 1.3767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9336 1.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9336 1.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4897 1.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4897 1.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4898 -0.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4898 -0.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4898 -1.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4898 -1.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9336 -1.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9336 -1.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3773 -1.1919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3773 -1.1919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7496 -0.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7496 -0.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3313 -0.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3313 -0.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7387 -1.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7387 -1.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0458 1.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0458 1.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9335 2.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9335 2.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1789 1.6977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1789 1.6977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5182 -1.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5182 -1.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3906 -1.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3906 -1.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2263 -1.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2263 -1.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2263 -2.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2263 -2.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7387 -2.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7387 -2.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2512 -2.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2512 -2.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2512 -1.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2512 -1.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7323 0.7331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7323 0.7331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3313 0.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3313 0.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0458 -0.2713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0458 -0.2713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6169 -0.2713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6169 -0.2713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 4 1 0 0 0 0 | + | 6 4 1 0 0 0 0 |
| − | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
| − | 2 8 1 0 0 0 0 | + | 2 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 7 1 0 0 0 0 | + | 10 7 1 0 0 0 0 |
| − | 5 11 1 0 0 0 0 | + | 5 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 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 6 1 0 0 0 0 | + | 14 6 1 0 0 0 0 |
| − | 4 15 1 0 0 0 0 | + | 4 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 15 17 1 0 0 0 0 | + | 15 17 1 0 0 0 0 |
| − | 10 18 1 0 0 0 0 | + | 10 18 1 0 0 0 0 |
| − | 9 19 1 0 0 0 0 | + | 9 19 1 0 0 0 0 |
| − | 8 20 2 0 0 0 0 | + | 8 20 2 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 13 22 1 0 0 0 0 | + | 13 22 1 0 0 0 0 |
| − | 17 23 2 0 0 0 0 | + | 17 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 17 1 0 0 0 0 | + | 27 17 1 0 0 0 0 |
| − | 3 28 1 0 0 0 0 | + | 3 28 1 0 0 0 0 |
| − | 16 29 1 0 0 0 0 | + | 16 29 1 0 0 0 0 |
| − | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 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 3 29 30 31 | + | M SAL 1 3 29 30 31 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 COOH | + | M SMT 1 COOH |
| − | M SBV 1 32 -4.7640 5.4195 | + | M SBV 1 32 -4.7640 5.4195 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLNFA9NP0001 | + | ID FLNFA9NP0001 |
| − | KNApSAcK_ID C00010269 | + | KNApSAcK_ID C00010269 |
| − | NAME Calophyllic acid | + | NAME Calophyllic acid |
| − | CAS_RN 11025-23-3 | + | CAS_RN 11025-23-3 |
| − | FORMULA C25H24O6 | + | FORMULA C25H24O6 |
| − | EXACTMASS 420.1572885 | + | EXACTMASS 420.1572885 |
| − | AVERAGEMASS 420.45446 | + | AVERAGEMASS 420.45446 |
| − | SMILES CC(C)(O1)C=Cc(c34)c1c(c(c(C(C(C(C)O4)C)=O)3)O)C(c(c2)cccc2)=CC(O)=O | + | SMILES CC(C)(O1)C=Cc(c34)c1c(c(c(C(C(C(C)O4)C)=O)3)O)C(c(c2)cccc2)=CC(O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-0.9336 0.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3773 0.7346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1788 0.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1788 -0.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9336 -0.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3773 -0.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4897 0.7345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3773 1.3767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9336 1.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4897 1.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4898 -0.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4898 -1.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9336 -1.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3773 -1.1919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7496 -0.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3313 -0.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7387 -1.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0458 1.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9335 2.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1789 1.6977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5182 -1.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3906 -1.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2263 -1.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2263 -2.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7387 -2.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2512 -2.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2512 -1.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7323 0.7331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3313 0.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0458 -0.2713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6169 -0.2713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
1 5 1 0 0 0 0
5 6 2 0 0 0 0
6 4 1 0 0 0 0
1 7 1 0 0 0 0
2 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 7 1 0 0 0 0
5 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 6 1 0 0 0 0
4 15 1 0 0 0 0
15 16 2 0 0 0 0
15 17 1 0 0 0 0
10 18 1 0 0 0 0
9 19 1 0 0 0 0
8 20 2 0 0 0 0
13 21 1 0 0 0 0
13 22 1 0 0 0 0
17 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 17 1 0 0 0 0
3 28 1 0 0 0 0
16 29 1 0 0 0 0
29 30 2 0 0 0 0
29 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 29 30 31
M SBL 1 1 32
M SMT 1 COOH
M SBV 1 32 -4.7640 5.4195
S SKP 8
ID FLNFA9NP0001
KNApSAcK_ID C00010269
NAME Calophyllic acid
CAS_RN 11025-23-3
FORMULA C25H24O6
EXACTMASS 420.1572885
AVERAGEMASS 420.45446
SMILES CC(C)(O1)C=Cc(c34)c1c(c(c(C(C(C(C)O4)C)=O)3)O)C(c(c2)cccc2)=CC(O)=O
M END
