Mol:FL3FAKNS0005
From Metabolomics.JP
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35 38 1 0 | 35 38 1 0 | ||
37 39 1 0 | 37 39 1 0 | ||
| − | S SKP | + | S SKP 9 |
| − | ID | + | AUTODRAW FALSE |
| + | ID FL3FAKNS0005 | ||
KNApSAcK_ID | KNApSAcK_ID | ||
NAME Salcolin C;Tricin-4'-O- [erythro-beta-guaiacyl- (7''-O-methyl) -glyceryl] ether | NAME Salcolin C;Tricin-4'-O- [erythro-beta-guaiacyl- (7''-O-methyl) -glyceryl] ether | ||
Latest revision as of 12:25, 5 December 2012
Copyright: ARM project http://www.metabolome.jp/
39 42 0 0 0 0 0 0 0 0999 V2000
-3.1839 -1.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1839 -1.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8984 -0.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6129 -1.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6128 -1.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8984 -2.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4694 -2.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7550 -1.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7550 -1.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.0405 -0.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3260 -1.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3884 -0.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3884 0.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3261 0.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0405 0.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4694 -3.0197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0404 0.5447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3273 -0.6568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8984 -3.0039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3261 1.3038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0988 -1.0669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8085 -0.6572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9512 1.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0404 1.3697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3260 1.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3260 2.6072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7549 1.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4694 1.3697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4694 0.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1838 1.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8983 1.3697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8983 0.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1838 0.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6128 1.7822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6128 0.1322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7549 2.6072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3273 1.3697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4694 3.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
1 7 1 0
7 8 1 0
8 9 2 0
9 10 1 0
10 2 1 0
9 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
14 15 1 0
15 16 2 0
16 11 1 0
7 17 2 0
14 18 1 0
4 19 1 0
6 20 1 0
15 21 1 0
13 22 1 0
22 23 1 0
21 24 1 0
18 25 1 0
25 26 1 1
26 27 1 0
25 28 1 0
28 29 1 0
29 30 2 0
29 31 1 0
31 32 2 0
32 33 1 0
33 34 2 0
30 34 1 0
32 35 1 0
33 36 1 0
28 37 1 1
35 38 1 0
37 39 1 0
S SKP 9
AUTODRAW FALSE
ID FL3FAKNS0005
KNApSAcK_ID
NAME Salcolin C;Tricin-4'-O- [erythro-beta-guaiacyl- (7''-O-methyl) -glyceryl] ether
CAS_RN 1251909-09-7
FORMULA C28H28O11
EXACTMASS 540.163161738
AVERAGEMASS 540.51532
SMILES C(=O)(c12)C=C(c(c4)cc(c(c4OC)OC(CO)C(OC)c(c3)ccc(c3OC)O)OC)Oc(cc(cc(O)2)O)1
M END
