Mol:FL5FECNS0018
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
26 28 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
-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
-3.1885 -3.9895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9545 -4.6323 0.0000 C 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
8 21 1 0 0 0 0
21 22 1 0 0 0 0
2 23 1 0 0 0 0
23 24 1 0 0 0 0
16 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 25 26
M SBL 3 1 27
M SMT 3 OCH3
M SVB 3 27 1.7479 1.7424
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 25
M SMT 2 OCH3
M SVB 2 25 -2.5983 -0.6877
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 0.5403 -0.9854
S SKP 8
ID FL5FECNS0018
KNApSAcK_ID C00004693
NAME Jaceidin;5,7,4'-Trihydroxy-3,6,3'-trimethoxyflavone; Quercetagetin 3,3',6-trimethyl ether;5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxy-4H-1-benzopyran-4-one
CAS_RN 10173-01-0
FORMULA C18H16O8
EXACTMASS 360.08451748799996
AVERAGEMASS 360.31484
SMILES c(c3OC)(O)cc(O1)c(c3O)C(C(=C1c(c2)cc(OC)c(O)c2)OC)=O
M END
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