Mol:FL5F3CNS0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.0716 -1.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0716 -0.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7861 0.1141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 -0.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 -1.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7861 -1.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3571 -1.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3574 -1.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -0.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3571 0.1141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 0.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7861 -0.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 0.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 0.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7861 1.3519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0716 0.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3571 -2.3609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2150 0.1141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0718 -1.5358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2150 1.3519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7861 2.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2038 2.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7861 0.8737 0.0000 O 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
1 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 2 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
4 18 1 0 0 0 0
8 19 1 0 0 0 0
14 20 1 0 0 0 0
15 21 1 0 0 0 0
21 22 1 0 0 0 0
3 23 1 0 0 0 0
S SKP 8
ID FL5F3CNS0006
KNApSAcK_ID C00013360
NAME 3'-O-Methylmelanoxetin;3,7,8-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 63807-91-0
FORMULA C16H12O7
EXACTMASS 316.058302738
AVERAGEMASS 316.26228000000003
SMILES COc(c(O)3)cc(cc3)C(O1)=C(O)C(=O)c(c2)c1c(O)c(O)c2
M END
