Mol:FL5FCCGL0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
56 61 0 0 0 0 0 0 0 0999 V2000
-4.1572 -0.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1572 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3986 -1.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6400 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6400 -0.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3986 -0.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8814 -1.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1228 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1228 -0.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8814 -0.1027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8814 -2.5377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1676 0.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6055 -0.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3786 0.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3786 0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6055 1.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1676 0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3986 -2.7303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2061 1.4363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3547 -1.9752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6055 2.2974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8150 4.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1405 3.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5306 3.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1724 2.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0148 3.3008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5955 3.6847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4236 4.8304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5928 4.3108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5357 2.4119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5365 1.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8259 0.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6219 0.6855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1964 0.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9070 0.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1112 0.7029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9617 1.4976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7367 0.9613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2447 0.0769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8177 -2.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1072 -2.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9032 -2.7364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4777 -3.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1883 -2.9183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3923 -2.7189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2428 -1.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9520 -2.4770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5865 -3.3231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6444 0.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3264 1.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8509 -0.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3264 -1.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4808 4.4296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6059 4.1385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3858 -3.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3858 -4.8304 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
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
19 15 1 0 0 0 0
20 8 1 0 0 0 0
4 3 1 0 0 0 0
16 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 21 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
31 37 1 0 0 0 0
36 38 1 0 0 0 0
35 39 1 0 0 0 0
32 19 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 1 0 0 0
42 43 1 1 0 0 0
44 43 1 1 0 0 0
44 45 1 0 0 0 0
45 40 1 0 0 0 0
40 46 1 0 0 0 0
45 47 1 0 0 0 0
44 48 1 0 0 0 0
41 20 1 0 0 0 0
49 50 1 0 0 0 0
1 49 1 0 0 0 0
51 52 1 0 0 0 0
34 51 1 0 0 0 0
53 54 1 0 0 0 0
27 53 1 0 0 0 0
55 56 1 0 0 0 0
43 55 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 49 50
M SBL 1 1 55
M SMT 1 ^ OCH3
M SBV 1 55 0.4872 -0.8437
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 51 52
M SBL 2 1 57
M SMT 2 CH2OH
M SBV 2 57 -0.6545 0.4154
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 53 54
M SBL 3 1 59
M SMT 3 CH2OH
M SBV 3 59 -0.1147 -0.7449
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 55 56
M SBL 4 1 61
M SMT 4 CH2OH
M SBV 4 61 -0.9081 0.3771
S SKP 5
ID FL5FCCGL0004
FORMULA C34H42O22
EXACTMASS 802.216773028
AVERAGEMASS 802.68408
SMILES C(O)(C(O)6)C(O)C(OC6CO)Oc(c4)c(OC(O5)C(O)C(C(O)C(CO)5)O)cc(c4)C(O3)=C(C(=O)c(c32)c(O)cc(c2)OC)OC(C(O)1)OC(CO)C(O)C1O
M END
