Mol:FL2FALNI0022
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
38 40 0 0 0 0 0 0 0 0999 V2000
-1.4212 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9003 -1.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3794 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3794 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9003 -0.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4212 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1415 -1.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6624 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6624 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1415 -0.6464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1827 -0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1415 -2.3733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7171 -0.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2515 -0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2515 -0.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7171 0.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1827 -0.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9003 -2.4502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9003 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4212 0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9421 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4155 0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4212 1.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9415 1.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9415 2.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4619 2.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4212 2.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9421 -0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9415 -0.6467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6493 0.2783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7171 -1.5713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9415 -1.8491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4619 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9811 -1.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5003 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9811 -2.4479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7858 0.2788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5003 -0.1337 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
21 22 2 0 0 0 0
20 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
21 28 1 0 0 0 0
6 29 1 0 0 0 0
17 30 1 0 0 0 0
13 31 1 0 0 0 0
1 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
34 36 1 0 0 0 0
15 37 1 0 0 0 0
37 38 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 37 38
M SBL 1 1 39
M SMT 1 OCH3
M SBV 1 39 -7.0965 3.9169
S SKP 8
ID FL2FALNI0022
KNApSAcK_ID C00008532
NAME Exiguaflavanone D
CAS_RN 149725-17-7
FORMULA C31H38O7
EXACTMASS 522.26175357
AVERAGEMASS 522.62922
SMILES O=C(C2)c(c(OC2c(c3O)c(cc(c3)OC)O)1)c(O)c(CC=C(C)C)c(O)c1CC(C(C)=C)CC=C(C)C
M END
