Mol:FL3FECGS0033
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
36 39 0 0 0 0 0 0 0 0999 V2000
-3.1630 -0.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1630 -0.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7119 -0.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2609 -0.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2609 -0.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7119 0.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8098 -0.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3587 -0.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3587 -0.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8098 0.0453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6381 -1.3643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9078 0.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4481 -0.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0116 0.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0116 0.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4481 0.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9078 0.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7119 -1.5162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5783 0.3021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0962 -0.1249 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.3936 -0.4526 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.1263 -0.7056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6185 -1.3103 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.3212 -0.9827 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5884 -0.7296 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.3957 0.1300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1447 -0.4701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5942 -1.5681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7412 -1.2723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4556 -0.8598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5040 0.4729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9704 1.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7117 1.4039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7837 2.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0534 -1.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4020 -2.3299 0.0000 O 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
3 18 1 0 0 0 0
19 15 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
21 19 1 0 0 0 0
2 29 1 0 0 0 0
29 30 1 0 0 0 0
1 31 1 0 0 0 0
31 32 1 0 0 0 0
16 33 1 0 0 0 0
33 34 1 0 0 0 0
23 35 1 0 0 0 0
35 36 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 35 36
M SBL 4 1 38
M SMT 4 CH2OH
M SVB 4 38 3.7412 0.5528
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 33 34
M SBL 3 1 36
M SMT 3 OCH3
M SVB 3 36 -0.1867 1.4049
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 31 32
M SBL 2 1 34
M SMT 2 OCH3
M SVB 2 34 -3.504 0.4729
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 32
M SMT 1 OCH3
M SVB 1 32 -3.7412 -1.2723
S SKP 8
ID FL3FECGS0033
KNApSAcK_ID C00004416
NAME 6-Hydroxyluteolin 6,7,3'-trimethyl ether 4'-glucoside
CAS_RN 41087-97-2
FORMULA C24H26O12
EXACTMASS 506.142426296
AVERAGEMASS 506.45604
SMILES c(c3OC)c(ccc(O[C@@H](C4O)O[C@@H]([C@@H](C(O)4)O)CO)3)C(O2)=CC(=O)c(c21)c(c(c(OC)c1)OC)O
M END
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