Mol:FLII1LNI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5527 0.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5527 0.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5527 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5527 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9964 -0.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9964 -0.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4401 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4401 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4401 0.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4401 0.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9964 0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9964 0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8838 -0.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8838 -0.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3275 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3275 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2286 -0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2286 -0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8820 -1.1630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8820 -1.1630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1088 0.7874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1088 0.7874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2286 -1.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2286 -1.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8054 -1.4960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8054 -1.4960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3821 -1.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3821 -1.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3821 -0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3821 -0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8054 -0.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8054 -0.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9585 -1.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9585 -1.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9964 -1.1393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9964 -1.1393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3821 -0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3821 -0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9585 0.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9585 0.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5336 0.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5336 0.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5336 1.4960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5336 1.4960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1088 0.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1088 0.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0936 0.4148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0936 0.4148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5393 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5393 1.3100 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 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 7 10 1 0 0 0 0 | + | 7 10 1 0 0 0 0 |
| − | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
| − | 9 12 2 0 0 0 0 | + | 9 12 2 0 0 0 0 |
| − | 12 10 1 0 0 0 0 | + | 12 10 1 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 9 1 0 0 0 0 | + | 16 9 1 0 0 0 0 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 16 24 1 0 0 0 0 | + | 16 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 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 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 26 | + | M SBL 1 1 26 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 26 1.0936 0.4148 | + | M SVB 1 26 1.0936 0.4148 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLII1LNI0001 | + | ID FLII1LNI0001 |
| − | KNApSAcK_ID C00010076 | + | KNApSAcK_ID C00010076 |
| − | NAME Licocoumarone | + | NAME Licocoumarone |
| − | CAS_RN 118524-14-4 | + | CAS_RN 118524-14-4 |
| − | FORMULA C20H20O5 | + | FORMULA C20H20O5 |
| − | EXACTMASS 340.13107375 | + | EXACTMASS 340.13107375 |
| − | AVERAGEMASS 340.3698 | + | AVERAGEMASS 340.3698 |
| − | SMILES C(c(c3OC)c(O)cc(c31)oc(c(c2)c(O)cc(O)c2)c1)C=C(C)C | + | SMILES C(c(c3OC)c(O)cc(c31)oc(c(c2)c(O)cc(O)c2)c1)C=C(C)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-2.5527 0.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5527 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9964 -0.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4401 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4401 0.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9964 0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8838 -0.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3275 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2286 -0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8820 -1.1630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1088 0.7874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2286 -1.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8054 -1.4960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3821 -1.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3821 -0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8054 -0.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9585 -1.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9964 -1.1393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3821 -0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9585 0.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5336 0.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5336 1.4960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1088 0.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0936 0.4148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5393 1.3100 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 2 0 0 0 0
8 9 1 0 0 0 0
7 10 1 0 0 0 0
1 11 1 0 0 0 0
9 12 2 0 0 0 0
12 10 1 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 9 1 0 0 0 0
14 17 1 0 0 0 0
3 18 1 0 0 0 0
15 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
16 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 26
M SMT 1 OCH3
M SVB 1 26 1.0936 0.4148
S SKP 8
ID FLII1LNI0001
KNApSAcK_ID C00010076
NAME Licocoumarone
CAS_RN 118524-14-4
FORMULA C20H20O5
EXACTMASS 340.13107375
AVERAGEMASS 340.3698
SMILES C(c(c3OC)c(O)cc(c31)oc(c(c2)c(O)cc(O)c2)c1)C=C(C)C
M END
