Mol:FL3FACGS0063
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
1.3079 -1.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3079 -1.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7590 -1.9390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2100 -1.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2100 -1.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7590 -0.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6611 -1.9390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1122 -1.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1122 -1.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6611 -0.8973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6611 -2.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5631 -0.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0228 -1.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4825 -0.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4825 -0.3665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0228 -0.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5631 -0.3665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7884 -0.8578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7590 -2.4587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0768 -0.0234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0228 0.4297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1323 -1.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6166 -1.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8741 -1.4157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1577 -1.4079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6783 -0.8872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3279 -1.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8461 -1.4359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4204 -1.7436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4487 -2.1299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9036 -0.6543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9036 0.0075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9036 0.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4534 0.8243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3948 0.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8399 0.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3786 0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3786 1.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9449 1.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5112 1.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5112 0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9449 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0768 1.8825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6621 2.4587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9476 2.0462 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
18 1 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
16 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
27 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
35 36 2 0 0 0 0
36 37 1 0 0 0 0
37 38 2 0 0 0 0
38 39 1 0 0 0 0
39 40 2 0 0 0 0
40 41 1 0 0 0 0
41 42 2 0 0 0 0
42 37 1 0 0 0 0
25 18 1 0 0 0 0
40 43 1 0 0 0 0
39 44 1 0 0 0 0
44 45 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 44 45
M SBL 1 1 48
M SMT 1 OCH3
M SBV 1 48 -7.1666 4.3989
S SKP 8
ID FL3FACGS0063
KNApSAcK_ID C00004325
NAME Luteolin 7-(6''-ferulylglucoside)
CAS_RN 111150-41-5
FORMULA C31H28O14
EXACTMASS 624.147905604
AVERAGEMASS 624.5456200000001
SMILES C(C=4)(=O)c(c(OC4c(c5)cc(O)c(c5)O)1)c(O)cc(OC(O2)C(C(C(C2COC(=O)C=Cc(c3)cc(c(O)c3)OC)O)O)O)c1
M END
