Mol:FL2FALNI0023
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
34 36 0 0 0 0 0 0 0 0999 V2000
-1.7613 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2404 -1.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7195 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7195 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2404 -0.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7613 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1986 -1.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3222 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3222 -0.9472 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.1986 -0.6464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8426 -0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1986 -2.3733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3770 -0.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9113 -0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9113 -0.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3770 0.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8426 -0.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2404 -2.4502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2404 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7613 0.6476 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.2822 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4457 0.2788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7556 0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7613 1.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2817 1.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2817 2.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8020 2.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7613 2.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1482 0.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3091 0.2783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7773 -1.1467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6434 -1.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6274 -0.4473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4934 0.0527 0.0000 C 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
2 18 1 0 0 0 0
5 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
15 22 1 0 0 0 0
21 23 2 0 0 0 0
20 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
21 29 1 0 0 0 0
17 30 1 0 0 0 0
14 31 1 0 0 0 0
31 32 1 0 0 0 0
6 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 35
M SMT 2 OCH3
M SVB 2 35 -2.1185 -0.3284
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 33
M SMT 1 OCH3
M SVB 1 33 2.0876 -0.853
S SKP 8
ID FL2FALNI0023
KNApSAcK_ID C00008533
NAME Exiguaflavanone E
CAS_RN 149725-18-8
FORMULA C27H32O7
EXACTMASS 468.214803378
AVERAGEMASS 468.53878
SMILES C(C3=O)C(Oc(c32)c(CC(C(C)=C)CC=C(C)C)c(cc(O)2)OC)c(c1O)cc(c(O)c1)OC
M END
