Mol:FLNB3CNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 26 0 0 0 0 0 0 0 0999 V2000
0.1410 -0.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1410 -0.7022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6603 -1.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1795 -0.7022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1795 -0.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6603 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6987 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6987 0.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1795 1.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6603 0.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4292 0.0826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7816 -0.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4292 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6730 0.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2693 0.6930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6217 0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3778 -0.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5131 1.2406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2179 0.2706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2179 1.0964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0006 0.4214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1410 -1.2406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2179 -0.1027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 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
5 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 6 1 0 0 0 0
1 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 2 1 0 0 0 0
11 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
15 18 1 0 0 0 0
16 19 1 0 0 0 0
8 20 1 0 0 0 0
1 21 1 1 0 0 0
2 22 1 1 0 0 0
7 23 1 0 0 0 0
S SKP 8
ID FLNB3CNS0001
KNApSAcK_ID C00002993
NAME Haematoxylin
CAS_RN 517-28-2
FORMULA C16H14O6
EXACTMASS 302.07903818
AVERAGEMASS 302.27876000000003
SMILES Oc(c4)c(O)cc(c41)C([H])(c32)C(O)(COc(c(O)c(O)cc3)2)C1
M END
