Mol:FL1CALNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 25 0 0 0 0 0 0 0 0999 V2000 | + | 24 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5893 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5893 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5893 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5893 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0330 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0330 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4767 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4767 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4767 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4767 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0330 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0330 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9204 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9204 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3641 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3641 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1920 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1920 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7481 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7481 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3091 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3091 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8701 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8701 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8701 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8701 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3091 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3091 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7481 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7481 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9204 -0.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9204 -0.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1454 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1454 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0330 -0.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0330 -0.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4309 0.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4309 0.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1454 0.5549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1454 0.5549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9206 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9206 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2061 0.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2061 0.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8750 -0.4900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8750 -0.4900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5895 -0.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5895 -0.9025 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 11 2 0 0 0 0 | + | 10 11 2 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 11 23 1 0 0 0 0 | + | 11 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 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 19 20 | + | M SAL 1 2 19 20 |
| − | M SBL 1 1 20 | + | M SBL 1 1 20 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 20 -4.7675 2.9420 | + | M SBV 1 20 -4.7675 2.9420 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 21 22 | + | M SAL 2 2 21 22 |
| − | M SBL 2 1 22 | + | M SBL 2 1 22 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 22 -4.7722 2.9392 | + | M SBV 2 22 -4.7722 2.9392 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 23 24 | + | M SAL 3 2 23 24 |
| − | M SBL 3 1 24 | + | M SBL 3 1 24 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SBV 3 24 -5.7624 2.4563 | + | M SBV 3 24 -5.7624 2.4563 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CALNS0001 | + | ID FL1CALNS0001 |
| − | KNApSAcK_ID C00006965 | + | KNApSAcK_ID C00006965 |
| − | NAME Cerasin | + | NAME Cerasin |
| − | CAS_RN 64166-11-6 | + | CAS_RN 64166-11-6 |
| − | FORMULA C18H18O6 | + | FORMULA C18H18O6 |
| − | EXACTMASS 330.110338308 | + | EXACTMASS 330.110338308 |
| − | AVERAGEMASS 330.33191999999997 | + | AVERAGEMASS 330.33191999999997 |
| − | SMILES c(c(C(=O)C=Cc(c2)c(OC)cc(OC)c2)1)(OC)cc(O)cc1O | + | SMILES c(c(C(=O)C=Cc(c2)c(OC)cc(OC)c2)1)(OC)cc(O)cc1O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 25 0 0 0 0 0 0 0 0999 V2000
-2.5893 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5893 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0330 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4767 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4767 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0330 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9204 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3641 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1920 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7481 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3091 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8701 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8701 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3091 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7481 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9204 -0.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1454 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0330 -0.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4309 0.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1454 0.5549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9206 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2061 0.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8750 -0.4900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5895 -0.9025 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 11 2 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 10 1 0 0 0 0
7 16 2 0 0 0 0
1 17 1 0 0 0 0
3 18 1 0 0 0 0
13 19 1 0 0 0 0
19 20 1 0 0 0 0
5 21 1 0 0 0 0
21 22 1 0 0 0 0
11 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 20
M SMT 1 OCH3
M SBV 1 20 -4.7675 2.9420
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 22
M SMT 2 OCH3
M SBV 2 22 -4.7722 2.9392
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 23 24
M SBL 3 1 24
M SMT 3 OCH3
M SBV 3 24 -5.7624 2.4563
S SKP 8
ID FL1CALNS0001
KNApSAcK_ID C00006965
NAME Cerasin
CAS_RN 64166-11-6
FORMULA C18H18O6
EXACTMASS 330.110338308
AVERAGEMASS 330.33191999999997
SMILES c(c(C(=O)C=Cc(c2)c(OC)cc(OC)c2)1)(OC)cc(O)cc1O
M END
