Mol:FLIAECGS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
36 40 0 0 0 0 0 0 0 0999 V2000
-1.4949 0.8464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9386 0.5252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3823 0.8464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1738 0.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1738 -0.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7505 -0.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3272 -0.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3272 0.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7505 0.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9384 -0.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3823 -0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7505 -1.1391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9036 -0.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9036 -1.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4549 -1.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0063 -1.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0063 -0.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4549 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5988 0.6426 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.2526 0.1856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.7540 0.3795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.2344 0.3738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.6225 0.7344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1318 0.5515 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.9858 0.8661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5794 -0.2447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4683 -0.1001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6118 -1.3067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9860 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6118 -0.2766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3313 1.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2867 1.7237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6249 -0.3353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9669 -1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3822 -1.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3822 -2.4378 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 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 4 1 0 0 0 0
2 10 1 0 0 0 0
10 11 2 0 0 0 0
11 5 1 0 0 0 0
6 12 2 0 0 0 0
7 13 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
19 20 1 1 0 0 0
20 21 1 1 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 1 1 0 0 0 0
16 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 17 1 0 0 0 0
24 31 1 0 0 0 0
31 32 1 0 0 0 0
10 33 1 0 0 0 0
33 34 1 0 0 0 0
11 35 1 0 0 0 0
35 36 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 31 32
M SBL 3 1 35
M SMT 3 CH2OH
M SVB 3 35 -3.3313 1.4283
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 35 36
M SBL 2 1 39
M SMT 2 OCH3
M SVB 2 39 -0.822 -0.6025
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 33 34
M SBL 1 1 37
M SMT 1 OCH3
M SVB 1 37 -1.6529 -0.0247
S SKP 8
ID FLIAECGS0004
KNApSAcK_ID C00010134
NAME Isoplatycarpanetin 7-O-glucoside;Dipteryxine 7-O-glucoside
CAS_RN -
FORMULA C24H24O12
EXACTMASS 504.126776232
AVERAGEMASS 504.44016
SMILES c(C(=C5)C(c(c(O5)3)c(c(c(O[C@@H]([C@H]4O)OC(CO)[C@H](O)[C@@H]4O)c3)OC)OC)=O)(c2)cc(c1c2)OCO1
M END
