Mol:FL1DQUNI0002
From Metabolomics.JP
(Difference between revisions)
Revision as of 09:00, 7 October 2008
<pre>
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
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