Mol:FL5FECNS0014
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-1.0578 -1.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6614 -1.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1535 -1.6685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0419 -2.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4384 -2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9463 -2.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5340 -2.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4225 -3.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8189 -3.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3268 -3.1534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0047 -2.5427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7074 -4.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2089 -4.6196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0952 -5.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4800 -5.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9785 -5.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0921 -4.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9144 -3.7594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5659 -1.0626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7569 -1.4489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8220 -6.4279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2250 -0.6826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9394 -1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5341 -5.5307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1581 -6.2524 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
8 18 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
15 21 1 0 0 0 0
2 22 1 0 0 0 0
22 23 1 0 0 0 0
16 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 24 25
M SBL 2 1 26
M SMT 2 OCH3
M SVB 2 26 1.7479 1.7424
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 SVB 1 24 -2.5983 -0.6877
S SKP 8
ID FL5FECNS0014
KNApSAcK_ID C00004689
NAME Spinacetin;3,4',5,7-Tetrahydroxy-3',6-dimethoxyflavone;Quercetagetin 3',6-dimethyl ether;3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one
CAS_RN 3153-83-1
FORMULA C17H14O8
EXACTMASS 346.068867424
AVERAGEMASS 346.28826
SMILES COc(c(O)3)cc(cc3)C(O1)=C(O)C(=O)c(c(O)2)c(cc(O)c(OC)2)1
M END
