Mol:FL5FCENI0002
From Metabolomics.JP
(Difference between revisions)
Revision as of 09:00, 7 October 2008
<pre>
Copyright: ARM project http://www.metabolome.jp/
29 31 0 0 0 0 0 0 0 0999 V2000
-1.4891 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4891 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9328 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3764 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3764 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9328 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1799 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7362 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7362 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1799 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1799 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2923 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8592 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4262 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4262 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8592 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2923 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9328 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0452 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6001 -0.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1538 -1.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7075 -0.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1538 -1.7781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8592 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2922 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8463 0.4428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3462 1.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9930 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7075 0.7145 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
3 18 1 0 0 0 0
2 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
16 24 1 0 0 0 0
8 25 1 0 0 0 0
1 26 1 0 0 0 0
26 27 1 0 0 0 0
15 28 1 0 0 0 0
28 29 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 28 29
M SBL 2 1 30
M SMT 2 OCH3
M SVB 2 30 2.993 1.127
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 28
M SMT 1 OCH3
M SVB 1 28 -1.8463 0.4428
S SKP 8
ID FL5FCENI0002
KNApSAcK_ID C00005115
NAME Isorhynchospermin
CAS_RN 101770-13-2
FORMULA C22H22O7
EXACTMASS 398.136553058
AVERAGEMASS 398.40588
SMILES O(C)c(c3CC=C(C)C)cc(c2c3O)OC(=C(C(=O)2)O)c(c1)cc(c(OC)c1)O
M END
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