Mol:FL3FG8NS0001
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 |
| − | -1.4241 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4241 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4241 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4241 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9236 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9236 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4232 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4232 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4232 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4232 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9236 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9236 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0773 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0773 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5777 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5777 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5777 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5777 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0773 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0773 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0778 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0778 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6082 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6082 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1385 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1385 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1385 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1385 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6082 1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6082 1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0778 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0778 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0773 -1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0773 -1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9236 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9236 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5480 1.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5480 1.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1385 -0.3356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1385 -0.3356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1238 -0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1238 -0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7813 0.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7813 0.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2813 1.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2813 1.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1587 -0.0519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1587 -0.0519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8731 -0.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8731 -0.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6736 0.9643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6736 0.9643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2641 1.8766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2641 1.8766 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 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 12 24 1 0 0 0 0 | + | 12 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 -0.6736 0.9643 | + | M SVB 4 28 -0.6736 0.9643 |
| − | 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 1.1587 -0.0519 | + | M SVB 3 26 1.1587 -0.0519 |
| − | 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 -1.7813 0.7372 | + | M SVB 2 24 -1.7813 0.7372 |
| − | 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 -2.1385 -0.3356 | + | M SVB 1 22 -2.1385 -0.3356 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FG8NS0001 | + | ID FL3FG8NS0001 |
| − | KNApSAcK_ID C00001099 | + | KNApSAcK_ID C00001099 |
| − | NAME Skullcapflavone II;Neobaicalein | + | NAME Skullcapflavone II;Neobaicalein |
| − | CAS_RN 55084-08-7 | + | CAS_RN 55084-08-7 |
| − | FORMULA C19H18O8 | + | FORMULA C19H18O8 |
| − | EXACTMASS 374.100167552 | + | EXACTMASS 374.100167552 |
| − | AVERAGEMASS 374.34142 | + | AVERAGEMASS 374.34142 |
| − | SMILES c(c(C(O2)=CC(c(c3O)c2c(c(c3OC)OC)OC)=O)1)(OC)cccc1O | + | SMILES c(c(C(O2)=CC(c(c3O)c2c(c(c3OC)OC)OC)=O)1)(OC)cccc1O |
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
-1.4241 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4241 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9236 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4232 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4232 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9236 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0773 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5777 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5777 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0773 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0778 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6082 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1385 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1385 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6082 1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0778 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0773 -1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9236 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5480 1.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1385 -0.3356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1238 -0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7813 0.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2813 1.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1587 -0.0519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8731 -0.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6736 0.9643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2641 1.8766 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
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
16 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
12 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 -0.6736 0.9643
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 1.1587 -0.0519
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 -1.7813 0.7372
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 -2.1385 -0.3356
S SKP 8
ID FL3FG8NS0001
KNApSAcK_ID C00001099
NAME Skullcapflavone II;Neobaicalein
CAS_RN 55084-08-7
FORMULA C19H18O8
EXACTMASS 374.100167552
AVERAGEMASS 374.34142
SMILES c(c(C(O2)=CC(c(c3O)c2c(c(c3OC)OC)OC)=O)1)(OC)cccc1O
M END
