Mol:FL5F1CNF0001
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 29 0 0 0 0 0 0 0 0999 V2000 | + | 25 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2227 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2227 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2227 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2227 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6664 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6664 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1101 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1101 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1101 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1101 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6664 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6664 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5538 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5538 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0025 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0025 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0025 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0025 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5538 0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5538 0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5538 -1.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5538 -1.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5586 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5586 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1256 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1256 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6926 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6926 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6926 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6926 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1256 1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1256 1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5586 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5586 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7999 1.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7999 1.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4388 1.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4388 1.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7000 0.5105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7000 0.5105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3152 0.1994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3152 0.1994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7000 0.7290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7000 0.7290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3152 1.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3152 1.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8685 -1.0617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8685 -1.0617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7346 -1.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7346 -1.5616 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 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 15 1 0 0 0 0 | + | 23 15 1 0 0 0 0 |
| − | 8 24 1 0 0 0 0 | + | 8 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 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 28 0.2014 -0.768 | + | M SVB 1 28 0.2014 -0.768 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5F1CNF0001 | + | ID FL5F1CNF0001 |
| − | KNApSAcK_ID C00005092 | + | KNApSAcK_ID C00005092 |
| − | NAME Pongapin;3-Methoxy-2-[3,4-(methylenedioxy)phenyl]-4H-furo[2,3-h]-1-benzopyran-4-one;2-(1,3-Benzodioxol-5-yl)-3-methoxy-4H-furo[2,3-h]-1-benzopyran-4-one | + | NAME Pongapin;3-Methoxy-2-[3,4-(methylenedioxy)phenyl]-4H-furo[2,3-h]-1-benzopyran-4-one;2-(1,3-Benzodioxol-5-yl)-3-methoxy-4H-furo[2,3-h]-1-benzopyran-4-one |
| − | CAS_RN 481-99-2 | + | CAS_RN 481-99-2 |
| − | FORMULA C19H12O6 | + | FORMULA C19H12O6 |
| − | EXACTMASS 336.063388116 | + | EXACTMASS 336.063388116 |
| − | AVERAGEMASS 336.29498 | + | AVERAGEMASS 336.29498 |
| − | SMILES c(c51)(OCO5)ccc(C(O4)=C(C(c(c43)ccc(c32)occ2)=O)OC)c1 | + | SMILES c(c51)(OCO5)ccc(C(O4)=C(C(c(c43)ccc(c32)occ2)=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/
25 29 0 0 0 0 0 0 0 0999 V2000
-2.2227 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2227 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6664 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1101 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1101 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6664 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5538 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0025 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0025 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5538 0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5538 -1.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5586 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1256 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6926 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6926 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1256 1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5586 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7999 1.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4388 1.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7000 0.5105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3152 0.1994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7000 0.7290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3152 1.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8685 -1.0617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7346 -1.5616 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 1 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 15 1 0 0 0 0
8 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 28
M SMT 1 OCH3
M SVB 1 28 0.2014 -0.768
S SKP 8
ID FL5F1CNF0001
KNApSAcK_ID C00005092
NAME Pongapin;3-Methoxy-2-[3,4-(methylenedioxy)phenyl]-4H-furo[2,3-h]-1-benzopyran-4-one;2-(1,3-Benzodioxol-5-yl)-3-methoxy-4H-furo[2,3-h]-1-benzopyran-4-one
CAS_RN 481-99-2
FORMULA C19H12O6
EXACTMASS 336.063388116
AVERAGEMASS 336.29498
SMILES c(c51)(OCO5)ccc(C(O4)=C(C(c(c43)ccc(c32)occ2)=O)OC)c1
M END
