Mol:FL2F29NP0001
From Metabolomics.JP
(Difference between revisions)
Revision as of 09:00, 7 October 2008
<pre>
Copyright: ARM project http://www.metabolome.jp/
25 28 0 0 0 0 0 0 0 0999 V2000
-1.4013 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4013 -0.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8450 -0.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2887 -0.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2887 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8450 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2676 -0.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8239 -0.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8239 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2676 0.3366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3800 0.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9469 0.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5139 0.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5139 0.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9469 1.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3800 0.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2676 -1.4919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8450 0.9655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3897 1.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9582 0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9574 0.3365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2629 1.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5139 0.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1158 -0.5355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4013 -0.9480 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 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
1 21 1 0 0 0 0
21 20 1 0 0 0 0
20 22 1 0 0 0 0
20 23 1 0 0 0 0
2 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 27
M SMT 1 ^OCH3
M SBV 1 27 -6.0923 4.2937
S SKP 8
ID FL2F29NP0001
KNApSAcK_ID C00008134
NAME Ovalichromene
CAS_RN 61670-30-2
FORMULA C21H20O4
EXACTMASS 336.136159128
AVERAGEMASS 336.38109999999995
SMILES c(c23)(C=1)c(c(OC)cc2C(=O)CC(c(c4)cccc4)O3)OC(C1)(C)C
M END
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