Mol:FL3F19NI0001
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 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6797 -0.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6797 -0.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6797 -1.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6797 -1.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1234 -1.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1234 -1.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5671 -1.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5671 -1.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5671 -0.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5671 -0.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1234 -0.2309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1234 -0.2309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0108 -1.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0108 -1.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5455 -1.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5455 -1.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5455 -0.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5455 -0.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0108 -0.2309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0108 -0.2309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0108 -2.0165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0108 -2.0165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1016 -0.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1016 -0.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6686 -0.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6686 -0.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2356 -0.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2356 -0.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2356 0.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2356 0.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6686 0.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6686 0.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1016 0.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1016 0.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1234 0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1234 0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6795 0.7322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6795 0.7322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6795 1.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6795 1.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2356 1.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2356 1.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1234 1.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1234 1.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6795 2.0165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6795 2.0165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0369 0.0666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0369 0.0666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5369 0.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5369 0.9326 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 |
| − | 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 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 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 1 24 1 0 0 0 0 | + | 1 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 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 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 26 | + | M SBL 1 1 26 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 26 -2.0369 0.0666 | + | M SVB 1 26 -2.0369 0.0666 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3F19NI0001 | + | ID FL3F19NI0001 |
| − | KNApSAcK_ID C00004010 | + | KNApSAcK_ID C00004010 |
| − | NAME Lanceolatin A(flavonoid) | + | NAME Lanceolatin A(flavonoid) |
| − | CAS_RN 41689-78-5 | + | CAS_RN 41689-78-5 |
| − | FORMULA C21H20O4 | + | FORMULA C21H20O4 |
| − | EXACTMASS 336.136159128 | + | EXACTMASS 336.136159128 |
| − | AVERAGEMASS 336.38109999999995 | + | AVERAGEMASS 336.38109999999995 |
| − | SMILES C(C)(C)(O)C=Cc(c12)c(ccc1C(=O)C=C(c(c3)cccc3)O2)OC | + | SMILES C(C)(C)(O)C=Cc(c12)c(ccc1C(=O)C=C(c(c3)cccc3)O2)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-1.6797 -0.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6797 -1.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1234 -1.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5671 -1.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5671 -0.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1234 -0.2309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0108 -1.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5455 -1.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5455 -0.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0108 -0.2309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0108 -2.0165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1016 -0.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6686 -0.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2356 -0.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2356 0.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6686 0.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1016 0.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1234 0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 0.7322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 1.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2356 1.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1234 1.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 2.0165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0369 0.0666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5369 0.9326 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
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
7 11 2 0 0 0 0
9 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 17 2 0 0 0 0
17 12 1 0 0 0 0
6 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
20 22 1 0 0 0 0
20 23 1 0 0 0 0
1 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 26
M SMT 1 OCH3
M SVB 1 26 -2.0369 0.0666
S SKP 8
ID FL3F19NI0001
KNApSAcK_ID C00004010
NAME Lanceolatin A(flavonoid)
CAS_RN 41689-78-5
FORMULA C21H20O4
EXACTMASS 336.136159128
AVERAGEMASS 336.38109999999995
SMILES C(C)(C)(O)C=Cc(c12)c(ccc1C(=O)C=C(c(c3)cccc3)O2)OC
M END
