Mol:FL1C1ANP0004
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | 1.4155 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4155 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4155 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4155 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9718 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9718 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5281 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5281 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5281 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5281 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9718 0.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9718 0.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1585 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1585 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7148 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7148 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3976 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3976 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9585 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9585 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3976 -0.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3976 -0.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9585 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9585 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5111 0.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5111 0.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0638 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0638 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0638 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0638 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5111 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5111 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5111 -0.9485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5111 -0.9485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6164 0.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6164 0.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1691 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1691 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1691 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1691 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6164 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6164 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7216 0.9657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7216 0.9657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7989 0.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7989 0.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0844 0.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0844 0.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7989 0.5471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7989 0.5471 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 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 15 1 0 0 0 0 | + | 21 15 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 19 23 1 0 0 0 0 | + | 19 23 1 0 0 0 0 |
| − | 5 24 1 0 0 0 0 | + | 5 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 SBV 1 26 -5.5316 3.1252 | + | M SBV 1 26 -5.5316 3.1252 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1ANP0004 | + | ID FL1C1ANP0004 |
| − | KNApSAcK_ID C00007063 | + | KNApSAcK_ID C00007063 |
| − | NAME 4-Methoxylonchocarpin | + | NAME 4-Methoxylonchocarpin |
| − | CAS_RN 51589-67-4 | + | CAS_RN 51589-67-4 |
| − | FORMULA C21H20O4 | + | FORMULA C21H20O4 |
| − | EXACTMASS 336.136159128 | + | EXACTMASS 336.136159128 |
| − | AVERAGEMASS 336.38109999999995 | + | AVERAGEMASS 336.38109999999995 |
| − | SMILES c(c3O)(ccc(c32)OC(C=C2)(C)C)C(=O)C=Cc(c1)ccc(OC)c1 | + | SMILES c(c3O)(ccc(c32)OC(C=C2)(C)C)C(=O)C=Cc(c1)ccc(OC)c1 |
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
1.4155 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4155 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9718 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5281 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5281 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9718 0.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1585 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7148 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3976 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9585 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3976 -0.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9585 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5111 0.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0638 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0638 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5111 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5111 -0.9485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6164 0.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1691 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1691 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6164 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7216 0.9657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7989 0.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0844 0.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7989 0.5471 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
16 17 1 0 0 0 0
14 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 15 1 0 0 0 0
19 22 1 0 0 0 0
19 23 1 0 0 0 0
5 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 SBV 1 26 -5.5316 3.1252
S SKP 8
ID FL1C1ANP0004
KNApSAcK_ID C00007063
NAME 4-Methoxylonchocarpin
CAS_RN 51589-67-4
FORMULA C21H20O4
EXACTMASS 336.136159128
AVERAGEMASS 336.38109999999995
SMILES c(c3O)(ccc(c32)OC(C=C2)(C)C)C(=O)C=Cc(c1)ccc(OC)c1
M END
