Mol:FLIF1LNF0003
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 30 0 0 0 0 0 0 0 0999 V2000 | + | 26 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2225 0.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2225 0.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2225 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2225 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6662 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6662 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1099 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1099 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1099 0.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1099 0.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6662 1.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6662 1.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5536 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5536 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0027 0.1381 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.0027 0.1381 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.0027 0.7805 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.0027 0.7805 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.5536 1.1017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5536 1.1017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5588 -0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5588 -0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5588 -0.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5588 -0.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1536 -1.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1536 -1.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7484 -0.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7484 -0.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7484 -0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7484 -0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1536 0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1536 0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5536 -0.8252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5536 -0.8252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1807 0.7805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1807 0.7805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5590 1.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5590 1.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7997 1.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7997 1.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4386 1.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4386 1.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6998 1.2103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6998 1.2103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7484 -0.8697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7484 -0.8697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7484 -0.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7484 -0.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7362 -1.3847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7362 -1.3847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4507 -1.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4507 -1.7972 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 1 0 0 0 0 | + | 8 9 1 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 9 1 0 0 0 0 | + | 19 9 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 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 |
| − | 22 1 1 0 0 0 0 | + | 22 1 1 0 0 0 0 |
| − | 14 23 1 0 0 0 0 | + | 14 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 13 25 1 0 0 0 0 | + | 13 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 25 26 | + | M SAL 2 2 25 26 |
| − | M SBL 2 1 29 | + | M SBL 2 1 29 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 29 0.7362 -1.3847 | + | M SVB 2 29 0.7362 -1.3847 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 23 24 | + | M SAL 1 2 23 24 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 27 1.9854 -1.076 | + | M SVB 1 27 1.9854 -1.076 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIF1LNF0003 | + | ID FLIF1LNF0003 |
| − | KNApSAcK_ID C00009569 | + | KNApSAcK_ID C00009569 |
| − | NAME Elliptone;Derride | + | NAME Elliptone;Derride |
| − | CAS_RN 478-10-4 | + | CAS_RN 478-10-4 |
| − | FORMULA C20H16O6 | + | FORMULA C20H16O6 |
| − | EXACTMASS 352.094688244 | + | EXACTMASS 352.094688244 |
| − | AVERAGEMASS 352.33744 | + | AVERAGEMASS 352.33744 |
| − | SMILES c(O1)(c45)c(ccc(occ5)4)C(C(c23)C1COc2cc(OC)c(OC)c3)=O | + | SMILES c(O1)(c45)c(ccc(occ5)4)C(C(c23)C1COc2cc(OC)c(OC)c3)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 30 0 0 0 0 0 0 0 0999 V2000
-2.2225 0.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2225 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6662 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1099 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1099 0.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6662 1.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5536 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0027 0.1381 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0027 0.7805 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.5536 1.1017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5588 -0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5588 -0.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1536 -1.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7484 -0.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7484 -0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1536 0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5536 -0.8252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1807 0.7805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5590 1.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7997 1.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4386 1.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6998 1.2103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7484 -0.8697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7484 -0.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7362 -1.3847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4507 -1.7972 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 0 0 0 0
11 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 11 2 0 0 0 0
7 17 2 0 0 0 0
16 18 1 0 0 0 0
18 19 1 0 0 0 0
19 9 1 0 0 0 0
6 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 1 1 0 0 0 0
14 23 1 0 0 0 0
23 24 1 0 0 0 0
13 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 25 26
M SBL 2 1 29
M SMT 2 OCH3
M SVB 2 29 0.7362 -1.3847
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 23 24
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 1.9854 -1.076
S SKP 8
ID FLIF1LNF0003
KNApSAcK_ID C00009569
NAME Elliptone;Derride
CAS_RN 478-10-4
FORMULA C20H16O6
EXACTMASS 352.094688244
AVERAGEMASS 352.33744
SMILES c(O1)(c45)c(ccc(occ5)4)C(C(c23)C1COc2cc(OC)c(OC)c3)=O
M END
