Mol:FL1DQUNI0002
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 32 0 0 0 0 0 0 0 0999 V2000 | + | 31 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.9268 -0.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9268 -0.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9268 -0.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9268 -0.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4620 -1.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4620 -1.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0027 -0.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0027 -0.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0027 -0.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0027 -0.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4620 -0.1900 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.4620 -0.1900 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.4620 -1.7996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4620 -1.7996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8688 0.0416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8688 0.0416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4671 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4671 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9303 -0.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9303 -0.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3936 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3936 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8568 -0.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8568 -0.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3200 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3200 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7832 -0.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7832 -0.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7832 -0.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7832 -0.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3200 -0.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3200 -0.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8568 -0.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8568 -0.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4671 -1.7980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4671 -1.7980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3090 -0.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3090 -0.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8013 0.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8013 0.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3912 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3912 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8556 -0.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8556 -0.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3200 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3200 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7832 -0.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7832 -0.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3200 -1.7980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3200 -1.7980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6689 0.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6689 0.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9310 1.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9310 1.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6691 1.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6691 1.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4549 1.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4549 1.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0259 0.3971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0259 0.3971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5704 1.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5704 1.1999 0.0000 C 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 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 6 30 1 0 0 0 0 | + | 6 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 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 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 31 | + | M SBL 1 1 31 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 31 -0.0259 0.3971 | + | M SVB 1 31 -0.0259 0.3971 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DQUNI0002 | + | ID FL1DQUNI0002 |
| − | KNApSAcK_ID C00007984 | + | KNApSAcK_ID C00007984 |
| − | NAME Helihumulone | + | NAME Helihumulone |
| − | CAS_RN 72247-83-7 | + | CAS_RN 72247-83-7 |
| − | FORMULA C26H32O5 | + | FORMULA C26H32O5 |
| − | EXACTMASS 424.224974134 | + | EXACTMASS 424.224974134 |
| − | AVERAGEMASS 424.52927999999997 | + | AVERAGEMASS 424.52927999999997 |
| − | SMILES c(c2)c(ccc2)CCC(C(C(=O)1)=C(O)C(=C(O)C1(CC=C(C)C)OC)CC=C(C)C)=O | + | SMILES c(c2)c(ccc2)CCC(C(C(=O)1)=C(O)C(=C(O)C1(CC=C(C)C)OC)CC=C(C)C)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 32 0 0 0 0 0 0 0 0999 V2000
-0.9268 -0.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9268 -0.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4620 -1.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0027 -0.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0027 -0.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4620 -0.1900 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.4620 -1.7996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8688 0.0416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4671 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9303 -0.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3936 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8568 -0.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3200 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7832 -0.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7832 -0.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3200 -0.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8568 -0.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4671 -1.7980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3090 -0.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8013 0.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3912 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8556 -0.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3200 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7832 -0.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3200 -1.7980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6689 0.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9310 1.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6691 1.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4549 1.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0259 0.3971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5704 1.1999 0.0000 C 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
2 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
20 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
6 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 31
M SMT 1 OCH3
M SVB 1 31 -0.0259 0.3971
S SKP 8
ID FL1DQUNI0002
KNApSAcK_ID C00007984
NAME Helihumulone
CAS_RN 72247-83-7
FORMULA C26H32O5
EXACTMASS 424.224974134
AVERAGEMASS 424.52927999999997
SMILES c(c2)c(ccc2)CCC(C(C(=O)1)=C(O)C(=C(O)C1(CC=C(C)C)OC)CC=C(C)C)=O
M END
