Mol:FL3FBCGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
0.1018 -0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1018 -0.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5528 -0.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0039 -0.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0039 -0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5528 0.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4550 -0.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9060 -0.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9060 -0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4550 0.1286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6267 -1.2810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3569 0.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8166 -0.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2764 0.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2764 0.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8166 0.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3569 0.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8166 1.4555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8666 1.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5637 0.1881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1528 -0.0392 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.6372 -0.7198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.8947 -0.4311 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1782 -0.4233 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6988 0.0974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3484 -0.2454 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.8666 -0.4513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4410 -0.7589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4692 -1.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5506 0.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5056 0.9456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0634 -1.0430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7779 -1.4555 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
16 18 1 0 0 0 0
19 15 1 0 0 0 0
20 1 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 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 20 1 0 0 0 0
26 30 1 0 0 0 0
30 31 1 0 0 0 0
3 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 30 31
M SBL 2 1 33
M SMT 2 CH2OH
M SVB 2 33 -2.5506 0.6489
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 35
M SMT 1 OCH3
M SVB 1 35 0.0634 -1.043
S SKP 8
ID FL3FBCGS0001
KNApSAcK_ID C00004332
NAME Luteolin 5-methyl ether 7-glucoside
CAS_RN 58115-30-3
FORMULA C22H22O11
EXACTMASS 462.116211546
AVERAGEMASS 462.40348000000006
SMILES [C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c4)cc(c(c42)C(C=C(c(c3)ccc(c3O)O)O2)=O)OC)CO)O)O
M END
