Mol:FL7AAAGL0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
52 57 0 0 0 0 0 0 0 0999 V2000
-3.7333 1.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7333 0.9927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0323 0.5879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3313 0.9927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3313 1.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0323 2.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6303 0.5879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9293 0.9927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9293 1.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6303 2.2069 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
-0.2286 2.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4858 1.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2003 2.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2003 3.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4858 3.4442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2286 3.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9145 3.4441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4341 2.2067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0323 -0.2212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2029 0.4507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9663 -0.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0106 -0.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6915 -0.9757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9316 -1.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9085 -1.9285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2064 -1.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3766 0.3713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9621 -1.4169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9305 -2.5169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7438 -3.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1565 -3.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3802 -2.6501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4465 -1.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3469 -1.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8103 -2.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3122 -0.8767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7535 -1.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6258 -2.0295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4539 -3.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3985 0.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0106 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7625 0.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6279 0.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0159 1.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2638 0.9453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2697 0.2906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1426 1.0079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6406 0.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3732 -2.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9297 -2.9587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8572 1.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4341 2.6060 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
14 17 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
8 20 1 0 0 0 0
21 22 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 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
22 20 1 0 0 0 0
31 30 1 1 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
35 30 1 1 0 0 0
34 36 1 0 0 0 0
33 37 1 0 0 0 0
35 38 1 0 0 0 0
30 39 1 0 0 0 0
40 41 1 1 0 0 0
41 42 1 1 0 0 0
43 42 1 1 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
45 40 1 0 0 0 0
41 46 1 0 0 0 0
43 47 1 0 0 0 0
42 48 1 0 0 0 0
27 40 1 0 0 0 0
24 49 1 0 0 0 0
49 50 1 0 0 0 0
50 31 1 0 0 0 0
51 52 1 0 0 0 0
44 51 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 51 52
M SBL 1 1 57
M SMT 1 CH2OH
M SBV 1 57 -0.8413 -0.1116
S SKP 5
ID FL7AAAGL0010
FORMULA C33H41O19
EXACTMASS 741.22420413
AVERAGEMASS 741.66724
SMILES OC(C(O)1)C(C(OC1OCC(C6O)OC(C(C(O)6)OC(O5)C(O)C(O)C(C5CO)O)Oc(c3)c([o+1]c(c4)c3c(cc4O)O)c(c2)ccc(O)c2)C)O
M END
