Mol:FL3FAACS0055
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-0.8920 -0.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8920 -1.5916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3357 -1.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2206 -1.5916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2206 -0.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3357 -0.6281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 -1.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3332 -1.5916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3332 -0.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 -0.6281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 -2.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4481 -0.6282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0903 2.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6958 1.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4389 0.9370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4320 0.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0313 0.7627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2738 1.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7307 2.3128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0744 0.5585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3357 -2.5549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9512 -0.6075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5374 -0.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1236 -0.6075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1236 0.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5374 0.4078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9512 0.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7095 0.4076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1957 0.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8245 0.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2900 0.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7742 0.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1490 0.8580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6166 0.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7095 0.4630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4031 0.2415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9837 -0.0366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2238 2.5549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8732 1.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1588 1.1967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1499 1.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8643 1.1728 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
1 12 1 0 0 0 0
13 14 1 1 0 0 0
14 15 1 1 0 0 0
16 15 1 1 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 13 1 0 0 0 0
14 19 1 0 0 0 0
15 20 1 0 0 0 0
6 16 1 0 0 0 0
3 21 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 22 1 0 0 0 0
22 9 1 0 0 0 0
25 28 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 29 1 0 0 0 0
29 35 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 20 1 0 0 0 0
13 38 1 0 0 0 0
34 39 1 0 0 0 0
39 40 1 0 0 0 0
18 41 1 0 0 0 0
41 42 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 39 40
M SBL 1 1 43
M SMT 1 ^CH2OH
M SBV 1 43 -6.7957 6.3601
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 41 42
M SBL 2 1 45
M SMT 2 CH2OH
M SBV 2 45 -6.1155 5.6066
S SKP 8
ID FL3FAACS0055
KNApSAcK_ID C00006392
NAME Flavosativaside;Vitexin 2''-O-glucoside
CAS_RN 61360-94-9
FORMULA C27H30O15
EXACTMASS 594.15847029
AVERAGEMASS 594.5181
SMILES c(c3O)c(O)c(C(O4)C(OC(C(O)5)OC(CO)C(C(O)5)O)C(O)C(C4CO)O)c(c31)OC(c(c2)ccc(O)c2)=CC1=O
M END
