Mol:FL3FGANS0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 27 0 0 0 0 0 0 0 0999 V2000
-2.1040 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1040 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5477 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9914 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9914 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5477 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4351 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1212 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1212 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4351 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4351 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6773 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2443 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8112 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8112 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2443 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6773 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5477 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7149 0.3498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0925 -0.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7149 -0.6896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5477 1.1146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3780 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0925 1.0418 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 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 12 1 0 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 2 1 0 0 0 0
6 22 1 0 0 0 0
15 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 23 24
M SBL 1 1 26
M SMT 1 OCH3
M SBV 1 26 -6.1531 3.4073
S SKP 8
ID FL3FGANS0011
KNApSAcK_ID C00004003
NAME Kanzakiflavone 1
CAS_RN 59870-76-7
FORMULA C17H12O7
EXACTMASS 328.058302738
AVERAGEMASS 328.27297999999996
SMILES COc(c4)ccc(c4)C(=C3)Oc(c(O)1)c(C(=O)3)c(O)c(O2)c(OC2)1
M END
