Mol:FLIC1LNP0010
From Metabolomics.JP
(Difference between revisions)
Revision as of 09:00, 7 October 2008
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Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-0.7111 0.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7111 -0.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1548 -0.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4015 -0.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4015 0.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1548 0.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9578 -0.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5141 -0.3335 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.5141 0.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9578 0.6301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0702 -0.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0702 -1.3413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6650 -1.6847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2598 -1.3413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2598 -0.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6650 -0.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1548 1.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2674 0.6301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4760 -1.6844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7111 1.5936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2674 1.2724 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.8570 0.9320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2674 1.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4465 1.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0359 0.9320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6242 1.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2112 0.9327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6242 1.9495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1258 -1.8413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9919 -2.3413 0.0000 C 0 0 0 0 0 0 0 0 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
8 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 11 2 0 0 0 0
1 2 1 0 0 0 0
6 17 1 0 0 0 0
18 1 1 0 0 0 0
12 19 1 0 0 0 0
17 20 2 0 0 0 0
20 21 1 0 0 0 0
21 18 1 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
22 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
14 29 1 0 0 0 0
29 30 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 32
M SMT 1 OCH3
M SVB 1 32 3.4968 -1.5476
S SKP 8
ID FLIC1LNP0010
KNApSAcK_ID C00009736
NAME Heminitidulan
CAS_RN 66446-90-0
FORMULA C26H30O4
EXACTMASS 406.21440944799997
AVERAGEMASS 406.51399999999995
SMILES C(C)(C)=CCCC(C)(O1)C=Cc(c32)c1ccc2CC(c(c(O)4)ccc(OC)c4)CO3
M END
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