Mol:FL3FA9NI0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4209 -0.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4209 -0.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4209 -0.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4209 -0.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8646 -1.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8646 -1.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3083 -0.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3083 -0.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3083 -0.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3083 -0.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8646 0.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8646 0.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2480 -1.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2480 -1.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8043 -0.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8043 -0.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8043 -0.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8043 -0.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2480 0.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2480 0.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2480 -1.5009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2480 -1.5009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3604 0.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3604 0.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9274 -0.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9274 -0.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4944 0.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4944 0.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4944 0.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4944 0.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9274 1.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9274 1.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3604 0.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3604 0.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8646 0.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8646 0.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4207 1.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4207 1.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9441 0.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9441 0.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9441 1.5731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9441 1.5731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8101 1.4456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8101 1.4456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4944 0.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4944 0.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2869 0.4635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2869 0.4635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1529 0.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1529 0.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3010 -1.1606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3010 -1.1606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5865 -1.5731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5865 -1.5731 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 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 1 24 1 0 0 0 0 | + | 1 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 3 26 1 0 0 0 0 | + | 3 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 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 26 27 | + | M SAL 2 2 26 27 |
| − | M SBL 2 1 28 | + | M SBL 2 1 28 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 28 -1.301 -1.1606 | + | M SVB 2 28 -1.301 -1.1606 |
| − | 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 -1.7781 0.5822 | + | M SVB 1 26 -1.7781 0.5822 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FA9NI0002 | + | ID FL3FA9NI0002 |
| − | KNApSAcK_ID C00004013 | + | KNApSAcK_ID C00004013 |
| − | NAME cis-Tephrostachin | + | NAME cis-Tephrostachin |
| − | CAS_RN 50299-52-0 | + | CAS_RN 50299-52-0 |
| − | FORMULA C22H22O5 | + | FORMULA C22H22O5 |
| − | EXACTMASS 366.146723814 | + | EXACTMASS 366.146723814 |
| − | AVERAGEMASS 366.40708000000006 | + | AVERAGEMASS 366.40708000000006 |
| − | SMILES c(c(OC)1)c(OC)c(C(=O)2)c(OC(c(c3)cccc3)=C2)c1C=CC(C)(C)O | + | SMILES c(c(OC)1)c(OC)c(C(=O)2)c(OC(c(c3)cccc3)=C2)c1C=CC(C)(C)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-1.4209 -0.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4209 -0.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8646 -1.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3083 -0.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3083 -0.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8646 0.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2480 -1.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8043 -0.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8043 -0.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2480 0.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2480 -1.5009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3604 0.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9274 -0.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4944 0.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4944 0.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9274 1.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3604 0.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8646 0.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4207 1.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9441 0.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9441 1.5731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8101 1.4456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4944 0.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2869 0.4635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1529 0.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3010 -1.1606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5865 -1.5731 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
6 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
20 22 1 0 0 0 0
20 23 1 0 0 0 0
1 24 1 0 0 0 0
24 25 1 0 0 0 0
3 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 26 27
M SBL 2 1 28
M SMT 2 OCH3
M SVB 2 28 -1.301 -1.1606
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 -1.7781 0.5822
S SKP 8
ID FL3FA9NI0002
KNApSAcK_ID C00004013
NAME cis-Tephrostachin
CAS_RN 50299-52-0
FORMULA C22H22O5
EXACTMASS 366.146723814
AVERAGEMASS 366.40708000000006
SMILES c(c(OC)1)c(OC)c(C(=O)2)c(OC(c(c3)cccc3)=C2)c1C=CC(C)(C)O
M END
