Mol:FL5F1CNS0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 27 0 0 0 0 0 0 0 0999 V2000 | + | 24 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2177 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2177 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2177 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2177 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6614 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6614 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1051 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1051 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1051 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1051 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6614 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6614 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5488 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5488 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0075 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0075 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0075 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0075 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5488 0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5488 0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5488 -1.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5488 -1.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5636 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5636 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1306 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1306 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6976 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6976 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6976 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6976 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1306 1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1306 1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5636 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5636 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3856 0.2173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3856 0.2173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7736 0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7736 0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3253 1.3683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3253 1.3683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8735 -1.0617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8735 -1.0617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7396 -1.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7396 -1.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0208 0.0288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0208 0.0288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7960 0.3109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7960 0.3109 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 |
| − | 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 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 1 23 1 0 0 0 0 | + | 1 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 23 24 | + | M SAL 2 2 23 24 |
| − | M SBL 2 1 26 | + | M SBL 2 1 26 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 26 -2.7736 0.6625 | + | M SVB 2 26 -2.7736 0.6625 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 24 0.2178 -0.7467 | + | M SVB 1 24 0.2178 -0.7467 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5F1CNS0007 | + | ID FL5F1CNS0007 |
| − | KNApSAcK_ID C00005045 | + | KNApSAcK_ID C00005045 |
| − | NAME Demethoxykanugin;2-(1,3-Benzodioxol-5-yl)-3,7-dimethoxy-4H-1-benzopyran-4-one | + | NAME Demethoxykanugin;2-(1,3-Benzodioxol-5-yl)-3,7-dimethoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 1668-33-3 | + | CAS_RN 1668-33-3 |
| − | FORMULA C18H14O6 | + | FORMULA C18H14O6 |
| − | EXACTMASS 326.07903818 | + | EXACTMASS 326.07903818 |
| − | AVERAGEMASS 326.30016 | + | AVERAGEMASS 326.30016 |
| − | SMILES c(c41)(OCO4)ccc(C(O3)=C(C(c(c32)ccc(OC)c2)=O)OC)c1 | + | SMILES c(c41)(OCO4)ccc(C(O3)=C(C(c(c32)ccc(OC)c2)=O)OC)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 27 0 0 0 0 0 0 0 0999 V2000
-2.2177 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2177 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6614 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1051 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1051 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6614 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5488 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0075 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0075 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5488 0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5488 -1.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5636 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1306 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6976 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6976 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1306 1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5636 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3856 0.2173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7736 0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3253 1.3683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8735 -1.0617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7396 -1.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0208 0.0288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7960 0.3109 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
14 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 15 1 0 0 0 0
8 21 1 0 0 0 0
21 22 1 0 0 0 0
1 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 26
M SMT 2 OCH3
M SVB 2 26 -2.7736 0.6625
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 0.2178 -0.7467
S SKP 8
ID FL5F1CNS0007
KNApSAcK_ID C00005045
NAME Demethoxykanugin;2-(1,3-Benzodioxol-5-yl)-3,7-dimethoxy-4H-1-benzopyran-4-one
CAS_RN 1668-33-3
FORMULA C18H14O6
EXACTMASS 326.07903818
AVERAGEMASS 326.30016
SMILES c(c41)(OCO4)ccc(C(O3)=C(C(c(c32)ccc(OC)c2)=O)OC)c1
M END
