Mol:FL3FEAGS0037
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-0.9400 1.4108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9400 0.5858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2781 0.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3840 0.5858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3840 1.3502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2781 1.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0461 0.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7080 0.5858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7080 1.3502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0461 1.7324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0312 -0.5646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3698 1.7322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0446 1.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7193 1.7322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7193 2.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0446 2.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3698 2.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2781 -0.5593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6532 0.1741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7464 0.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1410 -0.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2692 -0.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4279 -0.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0392 0.4107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9298 0.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4426 -0.1006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9597 -0.4724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4588 -0.7404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1484 -1.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6035 -2.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7283 -2.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8476 -2.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3924 -1.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2678 -1.7253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9359 -1.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1661 -2.1071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2895 -2.6568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8476 -3.0317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6487 1.7606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3827 3.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3939 2.9010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4426 2.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7054 0.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1897 1.5379 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
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
3 18 1 0 0 0 0
2 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
29 30 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 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 38 1 0 0 0 0
33 28 1 0 0 0 0
23 19 1 0 0 0 0
39 40 1 0 0 0 0
1 39 1 0 0 0 0
41 42 1 0 0 0 0
15 41 1 0 0 0 0
43 44 1 0 0 0 0
25 43 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 44
M SMT 1 ^ OCH3
M SBV 1 44 0.7087 -0.3498
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 41 42
M SBL 2 1 46
M SMT 2 OCH3
M SBV 2 46 -0.6746 -0.3895
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 43 44
M SBL 3 1 48
M SMT 3 ^ CH2OH
M SBV 3 48 0.7756 -0.6081
S SKP 5
ID FL3FEAGS0037
FORMULA C29H34O15
EXACTMASS 622.189770418
AVERAGEMASS 622.5712599999999
SMILES Oc(c(OC(C(OC(C5O)OC(C)C(C5O)O)4)OC(C(O)C4O)CO)3)c(C1=O)c(cc(OC)3)OC(c(c2)ccc(OC)c2)=C1
M END
