Mol:FL3FAACS0039
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
51 55 0 0 0 0 0 0 0 0999 V2000
-0.1291 -0.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1291 -1.6608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5854 -2.0733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2998 -1.6608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2998 -0.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5854 -0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0142 -2.0733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7286 -1.6608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7286 -0.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0142 -0.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0142 -2.7165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4428 -0.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1710 -0.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.1710 0.8377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4428 0.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6271 0.8376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-0.0362 0.7270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-3.4554 1.9780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2046 1.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9524 1.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.4540 2.7914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4540 1.2275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-5.6271 1.5877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7358 -1.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9688 -2.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4261 -1.4784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4826 -0.6972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.3607 -2.1498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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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
15 18 1 0 0 0 0
3 19 1 0 0 0 0
1 20 1 0 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 25 1 0 0 0 0
25 26 1 1 0 0 0
26 21 1 1 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
26 29 1 0 0 0 0
23 30 1 0 0 0 0
22 6 1 0 0 0 0
29 31 1 0 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 0 0 0 0
35 36 1 0 0 0 0
32 37 2 0 0 0 0
34 38 1 0 0 0 0
34 39 1 0 0 0 0
36 40 2 0 0 0 0
36 41 1 0 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 46 1 0 0 0 0
46 47 1 1 0 0 0
47 42 1 1 0 0 0
46 48 1 0 0 0 0
45 49 1 0 0 0 0
47 50 1 0 0 0 0
42 51 1 0 0 0 0
43 2 1 0 0 0 0
S SKP 5
ID FL3FAACS0039
FORMULA C33H38O18
EXACTMASS 722.205814412
AVERAGEMASS 722.64402
SMILES Oc(c5)ccc(c5)C(=C4)Oc(c(C4=O)2)c(c(c(C(C(O)3)OC(C)C(O)C3O)c2O)O)C(C1O)OC(COC(CC(C)(O)CC(O)=O)=O)C(C1O)O
M END
