Mol:FL2FALNP0013
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.0639 -0.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5431 -0.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0222 -0.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0222 -0.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5431 0.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0639 -0.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4987 -0.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0196 -0.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0196 -0.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4987 0.2485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5400 0.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4987 -1.4783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0743 -0.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6087 0.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6087 0.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0743 1.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5400 0.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5848 0.2485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1430 1.1738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5431 0.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0634 1.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0065 1.1733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5848 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1049 1.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5848 1.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5843 -0.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1047 -0.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6239 -0.9534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1430 -0.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6239 -1.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5431 -1.5553 0.0000 O 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 2 0 0 0 0
6 1 1 0 0 0 0
3 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 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
6 18 1 0 0 0 0
15 19 1 0 0 0 0
5 20 1 0 0 0 0
20 21 2 0 0 0 0
17 22 1 0 0 0 0
21 23 1 0 0 0 0
23 18 1 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
1 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
2 31 1 0 0 0 0
S SKP 8
ID FL2FALNP0013
KNApSAcK_ID C00008463
NAME Euchrenone a9
CAS_RN 130289-27-9
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES C(C1(C)C)=Cc(c23)c(c(CC=C(C)C)c(O)c2C(CC(c(c(O)4)ccc(O)c4)O3)=O)O1
M END
