Mol:FL5FGGNS0015
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0995 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0995 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0995 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0995 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5432 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5432 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9869 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9869 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9869 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9869 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5432 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5432 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4306 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4306 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1257 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1257 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1257 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1257 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4306 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4306 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4306 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4306 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6818 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6818 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2488 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2488 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8158 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8158 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8158 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8158 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2488 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2488 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6818 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6818 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5432 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5432 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7104 0.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7104 0.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0880 -0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0880 -0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7104 -1.0168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7104 -1.0168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2488 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2488 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6112 -0.1612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6112 -0.1612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7987 -0.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7987 -0.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3735 1.0439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3735 1.0439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0880 0.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0880 0.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9917 -1.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9917 -1.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8578 -1.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8578 -1.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2652 0.7182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2652 0.7182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8287 1.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8287 1.6179 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 2 1 0 0 0 0 | + | 21 2 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
| − | 14 23 1 0 0 0 0 | + | 14 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 15 25 1 0 0 0 0 | + | 15 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 8 27 1 0 0 0 0 | + | 8 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 6 29 1 0 0 0 0 | + | 6 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 29 30 | + | M SAL 4 2 29 30 |
| − | M SBL 4 1 32 | + | M SBL 4 1 32 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 32 -1.2652 0.7182 | + | M SVB 4 32 -1.2652 0.7182 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 27 28 | + | M SAL 3 2 27 28 |
| − | M SBL 3 1 30 | + | M SBL 3 1 30 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 30 0.336 -1.0033 | + | M SVB 3 30 0.336 -1.0033 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 25 26 | + | M SAL 2 2 25 26 |
| − | M SBL 2 1 28 | + | M SBL 2 1 28 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 28 2.3735 1.0439 | + | M SVB 2 28 2.3735 1.0439 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 23 24 | + | M SAL 1 2 23 24 |
| − | M SBL 1 1 26 | + | M SBL 1 1 26 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 26 2.4072 -0.4686 | + | M SVB 1 26 2.4072 -0.4686 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FGGNS0015 | + | ID FL5FGGNS0015 |
| − | KNApSAcK_ID C00005069 | + | KNApSAcK_ID C00005069 |
| − | NAME 5,3'-Dihydroxy-3,8,4',5'-tetramethoxy-6,7-methylenedioxyflavone | + | NAME 5,3'-Dihydroxy-3,8,4',5'-tetramethoxy-6,7-methylenedioxyflavone |
| − | CAS_RN 82668-96-0 | + | CAS_RN 82668-96-0 |
| − | FORMULA C20H18O10 | + | FORMULA C20H18O10 |
| − | EXACTMASS 418.089996796 | + | EXACTMASS 418.089996796 |
| − | AVERAGEMASS 418.35092 | + | AVERAGEMASS 418.35092 |
| − | SMILES C(O3)(c(c4)cc(OC)c(c(O)4)OC)=C(C(c(c31)c(O)c(O2)c(OC2)c(OC)1)=O)OC | + | SMILES C(O3)(c(c4)cc(OC)c(c(O)4)OC)=C(C(c(c31)c(O)c(O2)c(OC2)c(OC)1)=O)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-2.0995 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0995 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5432 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9869 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9869 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5432 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4306 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1257 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1257 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4306 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4306 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6818 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2488 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8158 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8158 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2488 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6818 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5432 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7104 0.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0880 -0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7104 -1.0168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2488 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6112 -0.1612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7987 -0.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3735 1.0439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0880 0.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9917 -1.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8578 -1.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2652 0.7182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8287 1.6179 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 2 1 0 0 0 0
16 22 1 0 0 0 0
14 23 1 0 0 0 0
23 24 1 0 0 0 0
15 25 1 0 0 0 0
25 26 1 0 0 0 0
8 27 1 0 0 0 0
27 28 1 0 0 0 0
6 29 1 0 0 0 0
29 30 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 29 30
M SBL 4 1 32
M SMT 4 OCH3
M SVB 4 32 -1.2652 0.7182
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 27 28
M SBL 3 1 30
M SMT 3 OCH3
M SVB 3 30 0.336 -1.0033
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 25 26
M SBL 2 1 28
M SMT 2 OCH3
M SVB 2 28 2.3735 1.0439
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 23 24
M SBL 1 1 26
M SMT 1 OCH3
M SVB 1 26 2.4072 -0.4686
S SKP 8
ID FL5FGGNS0015
KNApSAcK_ID C00005069
NAME 5,3'-Dihydroxy-3,8,4',5'-tetramethoxy-6,7-methylenedioxyflavone
CAS_RN 82668-96-0
FORMULA C20H18O10
EXACTMASS 418.089996796
AVERAGEMASS 418.35092
SMILES C(O3)(c(c4)cc(OC)c(c(O)4)OC)=C(C(c(c31)c(O)c(O2)c(OC2)c(OC)1)=O)OC
M END
