Mol:FL3FABGS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.4867 0.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4867 0.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4867 -0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4867 -0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0356 -0.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0356 -0.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4154 -0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4154 -0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4154 0.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4154 0.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0356 0.3259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0356 0.3259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8665 -0.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8665 -0.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3176 -0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3176 -0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3176 0.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3176 0.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8665 0.3259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8665 0.3259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8665 -1.1218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8665 -1.1218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7685 0.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7685 0.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2282 0.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2282 0.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6879 0.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6879 0.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6879 0.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6879 0.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2282 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2282 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7685 0.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7685 0.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9376 0.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9376 0.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0356 -1.1221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0356 -1.1221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5738 0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5738 0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0582 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0582 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3157 -0.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3157 -0.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5992 -0.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5992 -0.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1198 0.3158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1198 0.3158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8783 0.0434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8783 0.0434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3392 1.0545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3392 1.0545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8620 -0.5406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8620 -0.5406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8370 0.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8370 0.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7851 -0.7433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7851 -0.7433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4697 0.6781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4697 0.6781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1475 1.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1475 1.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8620 0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8620 0.7095 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 19 3 1 0 0 0 0 | + | 19 3 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 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 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 23 18 1 0 0 0 0 | + | 23 18 1 0 0 0 0 |
| − | 15 31 1 0 0 0 0 | + | 15 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 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 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 34 -5.3194 3.5675 | + | M SBV 1 34 -5.3194 3.5675 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FABGS0002 | + | ID FL3FABGS0002 |
| − | KNApSAcK_ID C00004202 | + | KNApSAcK_ID C00004202 |
| − | NAME Acacetin 7-galactoside | + | NAME Acacetin 7-galactoside |
| − | CAS_RN 35013-09-3 | + | CAS_RN 35013-09-3 |
| − | FORMULA C22H22O10 | + | FORMULA C22H22O10 |
| − | EXACTMASS 446.121296924 | + | EXACTMASS 446.121296924 |
| − | AVERAGEMASS 446.40408 | + | AVERAGEMASS 446.40408 |
| − | SMILES C(C1O)(C(C(OC1Oc(c4)cc(c(c4O)3)OC(=CC3=O)c(c2)ccc(OC)c2)CO)O)O | + | SMILES C(C1O)(C(C(OC1Oc(c4)cc(c(c4O)3)OC(=CC3=O)c(c2)ccc(OC)c2)CO)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-0.4867 0.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4867 -0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0356 -0.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4154 -0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4154 0.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0356 0.3259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8665 -0.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3176 -0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3176 0.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8665 0.3259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8665 -1.1218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7685 0.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2282 0.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6879 0.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6879 0.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2282 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7685 0.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9376 0.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0356 -1.1221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5738 0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0582 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3157 -0.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5992 -0.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1198 0.3158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8783 0.0434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3392 1.0545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8620 -0.5406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8370 0.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7851 -0.7433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4697 0.6781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1475 1.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8620 0.7095 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
1 18 1 0 0 0 0
19 3 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
25 28 1 0 0 0 0
22 29 1 0 0 0 0
28 30 1 0 0 0 0
23 18 1 0 0 0 0
15 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 OCH3
M SBV 1 34 -5.3194 3.5675
S SKP 8
ID FL3FABGS0002
KNApSAcK_ID C00004202
NAME Acacetin 7-galactoside
CAS_RN 35013-09-3
FORMULA C22H22O10
EXACTMASS 446.121296924
AVERAGEMASS 446.40408
SMILES C(C1O)(C(C(OC1Oc(c4)cc(c(c4O)3)OC(=CC3=O)c(c2)ccc(OC)c2)CO)O)O
M END
