Mol:FL5FGGNS0011
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
-1.4388 -0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9950 -0.9854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9951 -1.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4387 -1.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8825 -1.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8825 -0.9854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4388 -2.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8824 -2.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3262 -2.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3262 -1.9489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8725 -2.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2299 -2.9123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2299 -3.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7969 -3.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3639 -3.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3638 -2.9123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7969 -2.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4388 -0.0221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5511 -1.9488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7969 -4.8943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7969 -5.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8824 -3.9124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8824 -4.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2299 -4.0669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0960 -4.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0045 -2.8698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0023 -2.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1535 -0.2827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2966 -1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2472 -0.9396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7502 -0.8678 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
14 20 1 0 0 0 0
20 21 1 0 0 0 0
8 22 1 0 0 0 0
22 23 1 0 0 0 0
15 24 1 0 0 0 0
24 25 1 0 0 0 0
16 26 1 0 0 0 0
26 27 1 0 0 0 0
2 28 1 0 0 0 0
28 29 1 0 0 0 0
6 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 6 SUP
M SLB 1 6 6
M SAL 6 2 30 31
M SBL 6 1 32
M SMT 6 OCH3
M SVB 6 32 -1.4067 0.7574
M STY 1 5 SUP
M SLB 1 5 5
M SAL 5 2 28 29
M SBL 5 1 30
M SMT 5 OCH3
M SVB 5 30 -2.9555 -0.6877
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 26 27
M SBL 4 1 28
M SMT 4 OCH3
M SVB 4 28 1.3907 1.7424
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 24 25
M SBL 3 1 26
M SMT 3 OCH3
M SVB 3 26 2.241 1.1662
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 0.183 -0.9854
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 1.8838 -0.022
S SKP 8
ID FL5FGGNS0011
KNApSAcK_ID C00004868
NAME 5,7-Dihydroxy-3,6,8,3',4',5'-hexamethoxyflavone;5,7-Dihydroxy-3,6,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 96887-18-2
FORMULA C21H22O10
EXACTMASS 434.121296924
AVERAGEMASS 434.39338
SMILES C(O2)(c(c3)cc(OC)c(OC)c3OC)=C(C(c(c21)c(c(c(O)c1OC)OC)O)=O)OC
M END
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