Mol:FL3FAACS0091
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
47 51 0 0 0 0 0 0 0 0999 V2000
1.7588 -0.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0443 -0.4221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3298 -0.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3298 -1.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0443 -2.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7588 -1.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3847 -0.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0991 -0.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0991 -1.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3847 -2.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0443 -2.6442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5601 -0.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2746 -0.7845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9891 -0.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9891 0.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2746 0.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5601 0.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6725 0.8476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3847 -2.8421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7896 -0.4360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8981 2.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3867 1.6491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8743 1.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7631 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2744 0.8495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7868 1.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5170 2.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4097 2.7054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6328 2.2519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1572 0.2977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7431 2.7696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6122 1.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4375 1.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8443 0.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6263 0.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8010 0.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3942 0.5769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0167 -0.3102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6524 0.9004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4375 1.9237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0603 1.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1652 0.6044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6725 0.8974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1652 0.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0646 2.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0635 2.8421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5417 1.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
3 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 4 1 0 0 0 0
5 11 2 0 0 0 0
1 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
10 19 1 0 0 0 0
8 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
26 27 1 0 0 0 0
21 28 1 0 0 0 0
22 29 1 0 0 0 0
7 24 1 0 0 0 0
30 23 1 0 0 0 0
31 27 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
35 38 1 0 0 0 0
34 39 1 0 0 0 0
33 40 1 0 0 0 0
32 41 1 0 0 0 0
36 30 1 0 0 0 0
39 42 1 0 0 0 0
42 43 2 0 0 0 0
42 44 1 0 0 0 0
40 45 1 0 0 0 0
45 46 2 0 0 0 0
45 47 1 0 0 0 0
S SKP 5
ID FL3FAACS0091
FORMULA C31H34O16
EXACTMASS 662.18468504
AVERAGEMASS 662.5920600000001
SMILES C(C)(=O)OC(C(OC(C)=O)1)C(OC(OC(C(c(c53)c(O)cc(c3C(C=C(O5)c(c4)ccc(O)c4)=O)O)2)C(C(C(CO)O2)O)O)C1O)C
M END
