Mol:FL5FECNS0013
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-1.3011 -1.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7552 -1.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3757 -1.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5420 -2.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0878 -2.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4673 -2.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1625 -2.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3287 -2.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8745 -3.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2540 -3.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5166 -1.9962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0407 -4.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6731 -4.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8426 -4.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3796 -5.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7472 -5.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5777 -4.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9490 -3.1370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8298 -1.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2844 -5.6033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5490 -5.9422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1175 -1.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9394 -1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6109 -2.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3550 -2.2954 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
3 19 1 0 0 0 0
16 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
1 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 -2.241 0.4428
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 -0.7269
S SKP 8
ID FL5FECNS0013
KNApSAcK_ID C00004688
NAME Eupatolitin;3,3',4',5-tetrahydroxy-6,7-dimethoxyflavone;2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-6,7-dimethoxy-4H-1-benzopyran-4-one
CAS_RN 29536-44-5
FORMULA C17H14O8
EXACTMASS 346.068867424
AVERAGEMASS 346.28826
SMILES COc(c1)c(OC)c(O)c(C(=O)2)c1OC(c(c3)cc(O)c(O)c3)=C(O)2
M END
