Mol:FL5FECNS0021
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7182 -0.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7182 -0.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8297 -0.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8297 -0.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3377 -1.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3377 -1.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7341 -0.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7341 -0.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6225 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6225 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1146 0.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1146 0.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2420 -1.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2420 -1.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3616 -1.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3616 -1.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4732 -0.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4732 -0.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0189 -0.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0189 -0.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3290 -1.8930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3290 -1.8930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0766 -0.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0766 -0.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5781 -0.7487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5781 -0.7487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1934 -0.5247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1934 -0.5247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3070 0.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3070 0.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8055 0.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8055 0.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1903 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1903 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8535 -1.5928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8535 -1.5928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4492 -1.8388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4492 -1.8388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2919 -0.0536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2919 -0.0536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1846 1.0590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1846 1.0590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7752 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7752 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4699 -0.4633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4699 -0.4633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9394 -1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9394 -1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9625 0.5104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9625 0.5104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3045 1.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3045 1.4501 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 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 2 23 1 0 0 0 0 | + | 2 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 1 25 1 0 0 0 0 | + | 1 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 25 26 | + | M SAL 3 2 25 26 |
| − | M SBL 3 1 27 | + | M SBL 3 1 27 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 27 -2.241 0.482 | + | M SVB 3 27 -2.241 0.482 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 23 24 | + | M SAL 2 2 23 24 |
| − | M SBL 2 1 25 | + | M SBL 2 1 25 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 25 -2.5983 -0.6877 | + | M SVB 2 25 -2.5983 -0.6877 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 23 1.7479 1.7424 | + | M SVB 1 23 1.7479 1.7424 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FECNS0021 | + | ID FL5FECNS0021 |
| − | KNApSAcK_ID C00004697 | + | KNApSAcK_ID C00004697 |
| − | NAME Veronicafolin | + | NAME Veronicafolin |
| − | CAS_RN 578-71-2 | + | CAS_RN 578-71-2 |
| − | FORMULA C18H16O8 | + | FORMULA C18H16O8 |
| − | EXACTMASS 360.08451748799996 | + | EXACTMASS 360.08451748799996 |
| − | AVERAGEMASS 360.31484 | + | AVERAGEMASS 360.31484 |
| − | SMILES c(c1OC)c(O2)c(C(C(=C2c(c3)cc(OC)c(O)c3)O)=O)c(c1OC)O | + | SMILES c(c1OC)c(O2)c(C(C(=C2c(c3)cc(OC)c(O)c3)O)=O)c(c1OC)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-1.7182 -0.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8297 -0.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3377 -1.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7341 -0.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6225 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1146 0.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2420 -1.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3616 -1.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4732 -0.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0189 -0.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3290 -1.8930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0766 -0.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5781 -0.7487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1934 -0.5247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3070 0.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8055 0.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1903 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8535 -1.5928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4492 -1.8388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2919 -0.0536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1846 1.0590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7752 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4699 -0.4633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9394 -1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9625 0.5104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3045 1.4501 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
8 18 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
16 21 1 0 0 0 0
21 22 1 0 0 0 0
2 23 1 0 0 0 0
23 24 1 0 0 0 0
1 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 25 26
M SBL 3 1 27
M SMT 3 OCH3
M SVB 3 27 -2.241 0.482
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 25
M SMT 2 OCH3
M SVB 2 25 -2.5983 -0.6877
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 1.7479 1.7424
S SKP 8
ID FL5FECNS0021
KNApSAcK_ID C00004697
NAME Veronicafolin
CAS_RN 578-71-2
FORMULA C18H16O8
EXACTMASS 360.08451748799996
AVERAGEMASS 360.31484
SMILES c(c1OC)c(O2)c(C(C(=C2c(c3)cc(OC)c(O)c3)O)=O)c(c1OC)O
M END
