Mol:FL3FAACS0029
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-1.2205 -0.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2205 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6642 -1.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1079 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1079 -0.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6642 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4484 -1.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0047 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0047 -0.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4484 -0.3740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4484 -2.1596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7766 -0.3741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6227 -0.3535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2089 -0.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7951 -0.3535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7951 0.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2089 0.6619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6227 0.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3810 0.6617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4394 2.1042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.0450 1.6454 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.7881 0.9848 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.7812 0.3473 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.3179 0.8106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6229 1.3885 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.1213 2.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0798 2.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4235 0.6063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6642 -2.3008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1736 -1.5644 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.8024 -2.0544 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.2679 -1.8465 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7521 -1.8409 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1269 -1.4661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5945 -1.7129 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.8321 -0.9730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3810 -2.0825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9616 -2.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3413 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9237 -0.3413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1076 1.6861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6069 1.2736 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 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
13 9 1 0 0 0 0
16 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
6 23 1 0 0 0 0
3 29 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 2 1 0 0 0 0
35 39 1 0 0 0 0
39 40 1 0 0 0 0
25 41 1 0 0 0 0
41 42 1 0 0 0 0
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 SVB 2 45 -0.1076 1.6861
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 SVB 1 43 -2.3413 -1.1542
S SKP 8
ID FL3FAACS0029
KNApSAcK_ID C00006234
NAME 6,8-Di-C-galactopyranosylapigenin
CAS_RN 82043-11-6
FORMULA C27H30O15
EXACTMASS 594.15847029
AVERAGEMASS 594.5181
SMILES C(=C4c(c5)ccc(O)c5)C(c(c(O4)2)c(O)c(c(O)c2[C@H](O3)[C@H]([C@H]([C@H](C3CO)O)O)O)[C@H](O1)[C@H]([C@H]([C@H](C(CO)1)O)O)O)=O
M END
