Mol:FL3FAAGM0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.6188 -0.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6188 -0.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6188 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6188 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1678 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1678 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7167 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7167 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7167 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7167 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1678 0.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1678 0.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2656 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2656 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8146 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8146 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8146 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8146 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2656 0.1173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2656 0.1173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2656 -1.3305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2656 -1.3305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3637 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3637 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0960 -0.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0960 -0.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5558 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5558 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5558 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5558 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0960 0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0960 0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3637 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3637 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1678 -1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1678 -1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0154 0.9134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0154 0.9134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0801 0.1644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0801 0.1644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0310 -0.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0310 -0.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6592 -0.6614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6592 -0.6614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4598 0.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4598 0.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6592 0.7378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6592 0.7378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0310 1.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0310 1.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2302 0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2302 0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0006 0.4031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0006 0.4031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1923 -0.9009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1923 -0.9009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5076 -1.2271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5076 -1.2271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0801 -0.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0801 -0.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0960 1.4442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0960 1.4442 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 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 26 21 1 1 0 0 0 | + | 26 21 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 21 28 1 0 0 0 0 | + | 21 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 25 19 1 0 0 0 0 | + | 25 19 1 0 0 0 0 |
| − | 16 31 1 0 0 0 0 | + | 16 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAAGM0002 | + | ID FL3FAAGM0002 |
| − | KNApSAcK_ID C00004479 | + | KNApSAcK_ID C00004479 |
| − | NAME 5,7,4'-Trihydroxy-3'-C-methylflavone 4'-rhamnoside | + | NAME 5,7,4'-Trihydroxy-3'-C-methylflavone 4'-rhamnoside |
| − | CAS_RN 92358-40-2 | + | CAS_RN 92358-40-2 |
| − | FORMULA C22H22O9 | + | FORMULA C22H22O9 |
| − | EXACTMASS 430.126382302 | + | EXACTMASS 430.126382302 |
| − | AVERAGEMASS 430.40468000000004 | + | AVERAGEMASS 430.40468000000004 |
| − | SMILES C(C1O)(Oc(c(C)2)ccc(C(O4)=CC(c(c43)c(O)cc(O)c3)=O)c2)OC(C(O)C1O)C | + | SMILES C(C1O)(Oc(c(C)2)ccc(C(O4)=CC(c(c43)c(O)cc(O)c3)=O)c2)OC(C(O)C1O)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-2.6188 -0.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6188 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1678 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7167 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7167 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1678 0.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2656 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8146 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8146 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2656 0.1173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2656 -1.3305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3637 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0960 -0.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5558 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5558 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0960 0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3637 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1678 -1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0154 0.9134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0801 0.1644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0310 -0.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6592 -0.6614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4598 0.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6592 0.7378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0310 1.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2302 0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0006 0.4031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1923 -0.9009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5076 -1.2271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0801 -0.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0960 1.4442 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
15 19 1 0 0 0 0
20 1 1 0 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
26 21 1 1 0 0 0
26 27 1 0 0 0 0
21 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
25 19 1 0 0 0 0
16 31 1 0 0 0 0
S SKP 8
ID FL3FAAGM0002
KNApSAcK_ID C00004479
NAME 5,7,4'-Trihydroxy-3'-C-methylflavone 4'-rhamnoside
CAS_RN 92358-40-2
FORMULA C22H22O9
EXACTMASS 430.126382302
AVERAGEMASS 430.40468000000004
SMILES C(C1O)(Oc(c(C)2)ccc(C(O4)=CC(c(c43)c(O)cc(O)c3)=O)c2)OC(C(O)C1O)C
M END
