Mol:FL3FAACS0030
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-0.9847 -0.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9847 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4284 -1.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1279 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1279 -0.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4284 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6842 -1.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2405 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2405 -0.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6842 -0.3740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6842 -2.1596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5408 -0.3741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8585 -0.3535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4447 -0.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0309 -0.3535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0309 0.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4447 0.6619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8585 0.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6168 0.6617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2036 2.1042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.8092 1.6454 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.5523 0.9848 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.5454 0.3473 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.0821 0.8106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3871 1.3885 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.3570 2.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8440 2.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1878 0.6063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4284 -2.3008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9378 -1.5644 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.5666 -2.0544 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.0321 -1.8465 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.5164 -1.8409 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.8912 -1.4661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3588 -1.7129 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.6168 -1.7463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1453 -2.0825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7259 -2.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3654 -1.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2368 -0.6089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1282 1.6861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8427 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 0.1282 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 -2.1056 -1.1542
S SKP 8
ID FL3FAACS0030
KNApSAcK_ID C00006235
NAME 6-C-Glucopyranosyl-8-C-galactopyranosylapigenin
CAS_RN 90898-93-4
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
