Mol:FL3FAKNS0004
From Metabolomics.JP
(Difference between revisions)
| (One intermediate revision by one user not shown) | |||
| Line 82: | Line 82: | ||
28 37 1 1 | 28 37 1 1 | ||
35 38 1 0 | 35 38 1 0 | ||
| − | S SKP | + | S SKP 9 |
| − | ID | + | AUTODRAW FALSE |
| + | ID FL3FAKNS0004 | ||
KNApSAcK_ID C00042925 | KNApSAcK_ID C00042925 | ||
NAME Salcolin B;Tricin 4'-O- (erythro-beta-guaiacylglyceryl) ether;Tricin 4'-O-beta-guaifenesin;Erythro-4'-O- (beta-guaiacylglyceryl) tricin | NAME Salcolin B;Tricin 4'-O- (erythro-beta-guaiacylglyceryl) ether;Tricin 4'-O-beta-guaifenesin;Erythro-4'-O- (beta-guaiacylglyceryl) tricin | ||
Latest revision as of 12:26, 5 December 2012
Copyright: ARM project http://www.metabolome.jp/
38 41 0 0 0 0 0 0 0 0999 V2000
-3.1839 -1.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1839 -0.8630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8984 -0.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6129 -0.8630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6128 -1.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8984 -2.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4694 -2.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7550 -1.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7550 -0.8630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4694 -0.4505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0405 -0.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3260 -0.8630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3884 -0.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3884 0.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3261 0.7870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0405 0.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4694 -2.8135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0404 0.7510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3273 -0.4505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8984 -2.7976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3261 1.5101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0988 -0.8606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8085 -0.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9512 1.8711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0404 1.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3260 1.9885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3260 2.8135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7549 1.9885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4694 1.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4694 0.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1838 1.9885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8983 1.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8983 0.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1838 0.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6128 1.9885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6128 0.3385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7549 2.8135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3273 1.5760 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
S SKP 9
AUTODRAW FALSE
ID FL3FAKNS0004
KNApSAcK_ID C00042925
NAME Salcolin B;Tricin 4'-O- (erythro-beta-guaiacylglyceryl) ether;Tricin 4'-O-beta-guaifenesin;Erythro-4'-O- (beta-guaiacylglyceryl) tricin
CAS_RN 369390-52-3
FORMULA C27H26O11
EXACTMASS 526.147511674
AVERAGEMASS 526.48874
SMILES c(c41)c(O)cc(c(C(C=C(O4)c(c2)cc(c(OC(C(c(c3)cc(OC)c(O)c3)O)CO)c2OC)OC)=O)1)O
M END
