Mol:FL3FA9NI0003
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 |
| − | -1.6797 -0.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6797 -0.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6797 -1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6797 -1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1234 -1.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1234 -1.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5671 -1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5671 -1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5671 -0.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5671 -0.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1234 -0.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1234 -0.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0108 -1.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0108 -1.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5455 -1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5455 -1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5455 -0.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5455 -0.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0108 -0.1948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0108 -0.1948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0108 -1.9804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0108 -1.9804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1016 -0.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1016 -0.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6686 -0.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6686 -0.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2356 -0.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2356 -0.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2356 0.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2356 0.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6686 0.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6686 0.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1016 0.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1016 0.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1234 0.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1234 0.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6795 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6795 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6795 1.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6795 1.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2356 1.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2356 1.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1234 1.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1234 1.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6795 2.0526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6795 2.0526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0369 0.1027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0369 0.1027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5369 0.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5369 0.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5598 -1.6401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5598 -1.6401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8453 -2.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8453 -2.0526 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 -1.5598 -1.6401 | + | M SVB 2 28 -1.5598 -1.6401 |
| − | 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 -2.0369 0.1027 | + | M SVB 1 26 -2.0369 0.1027 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FA9NI0003 | + | ID FL3FA9NI0003 |
| − | KNApSAcK_ID C00004014 | + | KNApSAcK_ID C00004014 |
| − | NAME trans-Tephrostachin | + | NAME trans-Tephrostachin |
| − | CAS_RN 80377-43-1 | + | CAS_RN 80377-43-1 |
| − | 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
-1.6797 -0.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6797 -1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1234 -1.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5671 -1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5671 -0.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1234 -0.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0108 -1.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5455 -1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5455 -0.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0108 -0.1948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0108 -1.9804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1016 -0.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6686 -0.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2356 -0.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2356 0.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6686 0.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1016 0.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1234 0.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 1.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2356 1.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1234 1.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 2.0526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0369 0.1027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5369 0.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5598 -1.6401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8453 -2.0526 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 -1.5598 -1.6401
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 -2.0369 0.1027
S SKP 8
ID FL3FA9NI0003
KNApSAcK_ID C00004014
NAME trans-Tephrostachin
CAS_RN 80377-43-1
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
