Mol:FL5FF8NS0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0624 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0624 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0624 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0624 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5061 -0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5061 -0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9498 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9498 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9498 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9498 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5061 0.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5061 0.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3935 -0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3935 -0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1628 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1628 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1628 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1628 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3935 0.3268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3935 0.3268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3935 -1.4588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3935 -1.4588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7189 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7189 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2859 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2859 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8528 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8528 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8528 0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8528 0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2859 1.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2859 1.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7189 0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7189 0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5061 -1.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5061 -1.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4197 -0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4197 -0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3617 1.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3617 1.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1382 2.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1382 2.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0288 -1.1368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0288 -1.1368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8948 -1.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8948 -1.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4197 0.6243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4197 0.6243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9198 1.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9198 1.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2281 0.8998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2281 0.8998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7916 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7916 1.7995 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 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 8 22 1 0 0 0 0 | + | 8 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 1 24 1 0 0 0 0 | + | 1 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 6 26 1 0 0 0 0 | + | 6 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 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 26 27 | + | M SAL 4 2 26 27 |
| − | M SBL 4 1 28 | + | M SBL 4 1 28 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 28 -1.2281 0.8998 | + | M SVB 4 28 -1.2281 0.8998 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 24 25 | + | M SAL 3 2 24 25 |
| − | M SBL 3 1 26 | + | M SBL 3 1 26 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 26 -2.4197 0.6243 | + | M SVB 3 26 -2.4197 0.6243 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 24 | + | M SBL 2 1 24 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 24 0.3617 -0.843 | + | M SVB 2 24 0.3617 -0.843 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 22 0.3617 1.6001 | + | M SVB 1 22 0.3617 1.6001 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FF8NS0007 | + | ID FL5FF8NS0007 |
| − | KNApSAcK_ID C00004720 | + | KNApSAcK_ID C00004720 |
| − | NAME 5,5'-Dihydroxy-3,7,8,2'-tetramethoxyflavone | + | NAME 5,5'-Dihydroxy-3,7,8,2'-tetramethoxyflavone |
| − | CAS_RN 117278-71-4 | + | CAS_RN 117278-71-4 |
| − | FORMULA C19H18O8 | + | FORMULA C19H18O8 |
| − | EXACTMASS 374.100167552 | + | EXACTMASS 374.100167552 |
| − | AVERAGEMASS 374.34142 | + | AVERAGEMASS 374.34142 |
| − | SMILES c(c(C(O2)=C(C(c(c(O)3)c2c(c(OC)c3)OC)=O)OC)1)(OC)ccc(O)c1 | + | SMILES c(c(C(O2)=C(C(c(c(O)3)c2c(c(OC)c3)OC)=O)OC)1)(OC)ccc(O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-2.0624 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0624 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 -0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9498 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9498 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 0.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 -0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1628 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1628 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 0.3268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 -1.4588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8528 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8528 0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 1.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 -1.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4197 -0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 1.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1382 2.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0288 -1.1368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8948 -1.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4197 0.6243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9198 1.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2281 0.8998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7916 1.7995 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
14 19 1 0 0 0 0
17 20 1 0 0 0 0
20 21 1 0 0 0 0
8 22 1 0 0 0 0
22 23 1 0 0 0 0
1 24 1 0 0 0 0
24 25 1 0 0 0 0
6 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 26 27
M SBL 4 1 28
M SMT 4 OCH3
M SVB 4 28 -1.2281 0.8998
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 24 25
M SBL 3 1 26
M SMT 3 OCH3
M SVB 3 26 -2.4197 0.6243
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 0.3617 -0.843
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 0.3617 1.6001
S SKP 8
ID FL5FF8NS0007
KNApSAcK_ID C00004720
NAME 5,5'-Dihydroxy-3,7,8,2'-tetramethoxyflavone
CAS_RN 117278-71-4
FORMULA C19H18O8
EXACTMASS 374.100167552
AVERAGEMASS 374.34142
SMILES c(c(C(O2)=C(C(c(c(O)3)c2c(c(OC)c3)OC)=O)OC)1)(OC)ccc(O)c1
M END
