Mol:FL1CHYNF0004
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7355 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7355 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7355 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7355 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1792 -0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1792 -0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6228 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6228 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6228 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6228 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1792 0.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1792 0.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0665 -0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0665 -0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4898 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4898 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0458 -0.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0458 -0.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6019 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6019 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1629 -0.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1629 -0.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7239 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7239 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7239 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7239 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1629 0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1629 0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6019 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6019 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0665 -0.8612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0665 -0.8612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3464 0.8021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3464 0.8021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7239 0.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7239 0.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3464 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3464 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6156 -0.5204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6156 -0.5204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9011 -0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9011 -0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6088 -0.5200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6088 -0.5200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3233 -0.9325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3233 -0.9325 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 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 2 1 0 0 0 0 | + | 19 2 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 9 22 1 0 0 0 0 | + | 9 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 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 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 22 -5.7978 3.7225 | + | M SBV 1 22 -5.7978 3.7225 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 24 | + | M SBL 2 1 24 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 24 -5.7983 3.7228 | + | M SBV 2 24 -5.7983 3.7228 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CHYNF0004 | + | ID FL1CHYNF0004 |
| − | KNApSAcK_ID C00007021 | + | KNApSAcK_ID C00007021 |
| − | NAME O-Methylpongamol | + | NAME O-Methylpongamol |
| − | CAS_RN 80158-88-9 | + | CAS_RN 80158-88-9 |
| − | FORMULA C19H16O4 | + | FORMULA C19H16O4 |
| − | EXACTMASS 308.104859 | + | EXACTMASS 308.104859 |
| − | AVERAGEMASS 308.32794 | + | AVERAGEMASS 308.32794 |
| − | SMILES c(c23)(occ3)ccc(c2OC)C(=O)C=C(OC)c(c1)cccc1 | + | SMILES c(c23)(occ3)ccc(c2OC)C(=O)C=C(OC)c(c1)cccc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.7355 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7355 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1792 -0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6228 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6228 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1792 0.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0665 -0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4898 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0458 -0.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6019 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1629 -0.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7239 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7239 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1629 0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6019 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0665 -0.8612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3464 0.8021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7239 0.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3464 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6156 -0.5204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9011 -0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6088 -0.5200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3233 -0.9325 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 11 2 0 0 0 0
11 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 10 1 0 0 0 0
7 16 2 0 0 0 0
1 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 2 1 0 0 0 0
3 20 1 0 0 0 0
20 21 1 0 0 0 0
9 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SBV 1 22 -5.7978 3.7225
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SBV 2 24 -5.7983 3.7228
S SKP 8
ID FL1CHYNF0004
KNApSAcK_ID C00007021
NAME O-Methylpongamol
CAS_RN 80158-88-9
FORMULA C19H16O4
EXACTMASS 308.104859
AVERAGEMASS 308.32794
SMILES c(c23)(occ3)ccc(c2OC)C(=O)C=C(OC)c(c1)cccc1
M END
