Mol:FL2FE8NS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.8577 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8577 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3014 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7451 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7451 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3014 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1888 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3675 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3675 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1888 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9236 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4906 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0576 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0576 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4906 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9236 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1888 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3014 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3568 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4140 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5721 0.1753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5721 -0.4203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8577 -0.8328 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
20 1 1 0 0 0 0
13 21 1 0 0 0 0
2 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 24
M SMT 1 ^OCH3
M SBV 1 24 -9.1886 5.5433
S SKP 8
ID FL2FE8NS0002
KNApSAcK_ID C00008337
NAME 5,7,2',5'-Tetrahydroxy-6-methoxyflavanone
CAS_RN 81524-09-6
FORMULA C16H14O7
EXACTMASS 318.073952802
AVERAGEMASS 318.27816
SMILES COc(c(O)3)c(O)c(C(=O)2)c(c3)OC(C2)c(c1)c(O)ccc(O)1
M END
