Mol:FL2FALNP0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-1.4873 0.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4873 -0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9310 -0.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3747 -0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3747 0.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9310 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1816 -0.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7379 -0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7379 0.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1816 0.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2940 0.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8609 0.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4279 0.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4279 1.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8609 1.3379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2940 1.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1816 -1.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9310 -1.5709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7271 1.3378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0434 -0.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5995 -0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1544 -0.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7094 -0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1544 -1.5687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9310 0.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4873 1.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0437 0.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0437 0.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1971 1.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5716 0.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9949 1.3379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7094 0.9254 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
3 18 1 0 0 0 0
16 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
6 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 1 1 0 0 0 0
27 29 1 0 0 0 0
27 30 1 0 0 0 0
14 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 OCH3
M SBV 1 34 -3.7212 5.7453
S SKP 8
ID FL2FALNP0005
KNApSAcK_ID C00008333
NAME Fleminone
CAS_RN 88660-16-6
FORMULA C26H28O6
EXACTMASS 436.188588628
AVERAGEMASS 436.49692
SMILES c(OC)(c4)ccc(c4O)C(C3)Oc(c2C(=O)3)c(C=1)c(c(c2O)CC=C(C)C)OC(C)(C)C1
M END
