Mol:FL5FECNF0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 33 0 0 0 0 0 0 0 0999 V2000 | + | 29 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1041 0.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1041 0.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1041 -0.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1041 -0.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5478 -0.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5478 -0.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9915 -0.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9915 -0.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9915 0.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9915 0.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5478 0.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5478 0.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4352 -0.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4352 -0.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1211 -0.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1211 -0.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1211 0.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1211 0.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4352 0.4240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4352 0.4240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4352 -1.3616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4352 -1.3616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6772 0.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6772 0.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2442 0.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2442 0.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8111 0.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8111 0.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8111 1.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8111 1.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2442 1.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2442 1.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6772 1.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6772 1.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6814 1.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6814 1.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3202 1.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3202 1.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5815 0.5326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5815 0.5326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4338 0.2216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4338 0.2216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8186 0.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8186 0.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4338 1.2809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4338 1.2809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9871 -1.0395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9871 -1.0395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8532 -1.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8532 -1.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8186 -0.4481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8186 -0.4481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8105 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8105 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5478 -1.8607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5478 -1.8607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5478 -2.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5478 -2.8607 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 |
| − | 2 26 1 0 0 0 0 | + | 2 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 3 28 1 0 0 0 0 | + | 3 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 28 29 | + | M SAL 3 2 28 29 |
| − | M SBL 3 1 32 | + | M SBL 3 1 32 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 32 -2.0325 -0.9934 | + | M SVB 3 32 -2.0325 -0.9934 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 26 27 | + | M SAL 2 2 26 27 |
| − | M SBL 2 1 30 | + | M SBL 2 1 30 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 30 -2.8186 -0.4481 | + | M SVB 2 30 -2.8186 -0.4481 |
| − | 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 0.3199 -0.7458 | + | M SVB 1 28 0.3199 -0.7458 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FECNF0001 | + | ID FL5FECNF0001 |
| − | KNApSAcK_ID C00005094 | + | KNApSAcK_ID C00005094 |
| − | NAME 3,5,6-Trimethoxy-3',4'-methylene-dioxyfurano[2,3:7,8]flavone | + | NAME 3,5,6-Trimethoxy-3',4'-methylene-dioxyfurano[2,3:7,8]flavone |
| − | CAS_RN 77970-08-2 | + | CAS_RN 77970-08-2 |
| − | FORMULA C21H16O8 | + | FORMULA C21H16O8 |
| − | EXACTMASS 396.08451748799996 | + | EXACTMASS 396.08451748799996 |
| − | AVERAGEMASS 396.34694 | + | AVERAGEMASS 396.34694 |
| − | SMILES O(C)c(c45)c(OC)c(c(c(cco5)4)3)C(C(=C(O3)c(c2)cc(O1)c(c2)OC1)OC)=O | + | SMILES O(C)c(c45)c(OC)c(c(c(cco5)4)3)C(C(=C(O3)c(c2)cc(O1)c(c2)OC1)OC)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 33 0 0 0 0 0 0 0 0999 V2000
-2.1041 0.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1041 -0.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5478 -0.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9915 -0.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9915 0.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5478 0.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4352 -0.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1211 -0.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1211 0.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4352 0.4240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4352 -1.3616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6772 0.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2442 0.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8111 0.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8111 1.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2442 1.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6772 1.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6814 1.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3202 1.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5815 0.5326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4338 0.2216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8186 0.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4338 1.2809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9871 -1.0395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8532 -1.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8186 -0.4481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8105 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5478 -1.8607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5478 -2.8607 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
2 26 1 0 0 0 0
26 27 1 0 0 0 0
3 28 1 0 0 0 0
28 29 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 28 29
M SBL 3 1 32
M SMT 3 OCH3
M SVB 3 32 -2.0325 -0.9934
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 26 27
M SBL 2 1 30
M SMT 2 OCH3
M SVB 2 30 -2.8186 -0.4481
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 0.3199 -0.7458
S SKP 8
ID FL5FECNF0001
KNApSAcK_ID C00005094
NAME 3,5,6-Trimethoxy-3',4'-methylene-dioxyfurano[2,3:7,8]flavone
CAS_RN 77970-08-2
FORMULA C21H16O8
EXACTMASS 396.08451748799996
AVERAGEMASS 396.34694
SMILES O(C)c(c45)c(OC)c(c(c(cco5)4)3)C(C(=C(O3)c(c2)cc(O1)c(c2)OC1)OC)=O
M END
