Mol:FL1DQUNP0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3421 -0.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3421 -0.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3421 -0.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3421 -0.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8773 -1.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8773 -1.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4126 -0.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4126 -0.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4126 -0.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4126 -0.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8773 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8773 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8773 -1.7996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8773 -1.7996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0518 -0.1902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0518 -0.1902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0518 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0518 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5151 -0.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5151 -0.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9783 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9783 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4415 -0.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4415 -0.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9047 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9047 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3679 -0.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3679 -0.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3679 -0.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3679 -0.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9047 -0.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9047 -0.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4415 -0.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4415 -0.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0518 -1.7980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0518 -1.7980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7243 -0.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7243 -0.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5985 0.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5985 0.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2166 0.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2166 0.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8065 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8065 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2709 -0.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2709 -0.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0842 0.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0842 0.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3463 1.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3463 1.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0844 1.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0844 1.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8702 1.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8702 1.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2709 -0.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2709 -0.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5398 0.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5398 0.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8311 -0.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8311 -0.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8311 -0.1934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8311 -0.1934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 5 8 2 0 0 0 0 | + | 5 8 2 0 0 0 0 |
| − | 4 9 1 0 0 0 0 | + | 4 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 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 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 |
| − | 9 18 2 0 0 0 0 | + | 9 18 2 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 19 28 1 0 0 0 0 | + | 19 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 15 31 1 0 0 0 0 | + | 15 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DQUNP0002 | + | ID FL1DQUNP0002 |
| − | KNApSAcK_ID C00007986 | + | KNApSAcK_ID C00007986 |
| − | NAME 4-Hydroxyglenoblone | + | NAME 4-Hydroxyglenoblone |
| − | CAS_RN 104406-78-2 | + | CAS_RN 104406-78-2 |
| − | FORMULA C26H30O5 | + | FORMULA C26H30O5 |
| − | EXACTMASS 422.20932407 | + | EXACTMASS 422.20932407 |
| − | AVERAGEMASS 422.5134 | + | AVERAGEMASS 422.5134 |
| − | SMILES C(C2=1)(CC=C(C)C)(C(C(C(CCc(c3)ccc(O)c3)=O)=C(O)C1C=CC(C)(C)O2)=O)C | + | SMILES C(C2=1)(CC=C(C)C)(C(C(C(CCc(c3)ccc(O)c3)=O)=C(O)C1C=CC(C)(C)O2)=O)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
-1.3421 -0.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3421 -0.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8773 -1.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4126 -0.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4126 -0.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8773 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8773 -1.7996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0518 -0.1902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0518 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5151 -0.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9783 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4415 -0.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9047 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3679 -0.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3679 -0.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9047 -0.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4415 -0.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0518 -1.7980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7243 -0.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5985 0.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2166 0.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8065 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2709 -0.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0842 0.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3463 1.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0844 1.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8702 1.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2709 -0.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5398 0.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8311 -0.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8311 -0.1934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 1 1 0 0 0 0
3 7 1 0 0 0 0
5 8 2 0 0 0 0
4 9 1 0 0 0 0
9 10 1 0 0 0 0
10 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 17 2 0 0 0 0
17 12 1 0 0 0 0
9 18 2 0 0 0 0
1 19 1 0 0 0 0
6 20 1 0 0 0 0
6 21 1 0 0 0 0
2 22 1 0 0 0 0
22 23 2 0 0 0 0
21 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
19 28 1 0 0 0 0
28 23 1 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
15 31 1 0 0 0 0
S SKP 8
ID FL1DQUNP0002
KNApSAcK_ID C00007986
NAME 4-Hydroxyglenoblone
CAS_RN 104406-78-2
FORMULA C26H30O5
EXACTMASS 422.20932407
AVERAGEMASS 422.5134
SMILES C(C2=1)(CC=C(C)C)(C(C(C(CCc(c3)ccc(O)c3)=O)=C(O)C1C=CC(C)(C)O2)=O)C
M END
