Mol:FL3FA9NI0004
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 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7102 -0.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7102 -0.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7102 -0.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7102 -0.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1539 -1.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1539 -1.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5976 -0.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5976 -0.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5976 -0.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5976 -0.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1539 -0.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1539 -0.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0413 -1.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0413 -1.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5150 -0.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5150 -0.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5150 -0.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5150 -0.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0413 -0.0038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0413 -0.0038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0413 -1.7893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0413 -1.7893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0711 -0.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0711 -0.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6381 -0.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6381 -0.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2051 -0.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2051 -0.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2051 0.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2051 0.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6381 0.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6381 0.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0711 0.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0711 0.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1539 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1539 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7100 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7100 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7100 1.5757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7100 1.5757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2234 1.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2234 1.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2051 1.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2051 1.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0674 0.2938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0674 0.2938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5674 1.1598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5674 1.1598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5903 -1.4490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5903 -1.4490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8758 -1.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8758 -1.8615 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 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 1 23 1 0 0 0 0 | + | 1 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 3 25 1 0 0 0 0 | + | 3 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 27 | + | M SBL 2 1 27 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 27 -1.5903 -1.449 | + | M SVB 2 27 -1.5903 -1.449 |
| − | 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 25 | + | M SBL 1 1 25 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 25 -2.0674 0.2938 | + | M SVB 1 25 -2.0674 0.2938 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FA9NI0004 | + | ID FL3FA9NI0004 |
| − | KNApSAcK_ID C00004015 | + | KNApSAcK_ID C00004015 |
| − | NAME trans-Anhydrotephrostachin | + | NAME trans-Anhydrotephrostachin |
| − | CAS_RN 80377-44-2 | + | CAS_RN 80377-44-2 |
| − | FORMULA C22H20O4 | + | FORMULA C22H20O4 |
| − | EXACTMASS 348.136159128 | + | EXACTMASS 348.136159128 |
| − | AVERAGEMASS 348.3918 | + | AVERAGEMASS 348.3918 |
| − | SMILES C(C)(=C)C=Cc(c3OC)c(c1c(c3)OC)OC(c(c2)cccc2)=CC(=O)1 | + | SMILES C(C)(=C)C=Cc(c3OC)c(c1c(c3)OC)OC(c(c2)cccc2)=CC(=O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-1.7102 -0.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7102 -0.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1539 -1.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5976 -0.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5976 -0.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1539 -0.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0413 -1.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5150 -0.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5150 -0.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0413 -0.0038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0413 -1.7893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0711 -0.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6381 -0.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2051 -0.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2051 0.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6381 0.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0711 0.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1539 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7100 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7100 1.5757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2234 1.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2051 1.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0674 0.2938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5674 1.1598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5903 -1.4490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8758 -1.8615 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 2 0 0 0 0
20 22 1 0 0 0 0
1 23 1 0 0 0 0
23 24 1 0 0 0 0
3 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 27
M SMT 2 OCH3
M SVB 2 27 -1.5903 -1.449
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 23 24
M SBL 1 1 25
M SMT 1 OCH3
M SVB 1 25 -2.0674 0.2938
S SKP 8
ID FL3FA9NI0004
KNApSAcK_ID C00004015
NAME trans-Anhydrotephrostachin
CAS_RN 80377-44-2
FORMULA C22H20O4
EXACTMASS 348.136159128
AVERAGEMASS 348.3918
SMILES C(C)(=C)C=Cc(c3OC)c(c1c(c3)OC)OC(c(c2)cccc2)=CC(=O)1
M END
