Mol:FL7AAHGL0014
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
62 67 0 0 0 0 0 0 0 0999 V2000
-1.3314 15.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3314 14.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6166 14.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0982 14.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0982 15.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6166 16.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8129 14.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5277 14.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5277 15.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8129 16.1540 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
2.2422 16.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9707 15.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6992 16.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6992 16.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9707 17.4157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2422 16.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0459 16.1539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3891 17.3934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6166 13.6783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2923 14.4649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3127 14.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9680 14.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6308 14.4183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2975 14.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6422 14.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9794 14.6365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7474 14.8141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4928 15.2113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3305 14.6682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9955 14.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2522 13.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6984 13.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9575 13.5536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6996 12.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8782 11.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8781 11.0844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1998 10.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1999 9.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8781 9.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5566 9.9095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5565 10.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8782 8.7352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4274 15.7335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4858 11.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7021 11.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5900 12.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2222 12.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9214 12.5669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9486 11.9099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5546 10.5769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9756 10.7336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1183 12.5060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7701 11.6067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4688 12.0271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1389 11.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1389 10.9533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8076 12.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5498 -18.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3305 -18.0146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5498 -19.2482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9707 18.0953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5378 19.2482 0.0000 C 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
1 17 1 0 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
20 8 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
24 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
37 38 1 0 0 0 0
38 39 2 0 0 0 0
39 40 1 0 0 0 0
40 41 2 0 0 0 0
41 36 1 0 0 0 0
39 42 1 0 0 0 0
13 43 1 0 0 0 0
44 45 1 1 0 0 0
45 46 1 1 0 0 0
47 46 1 1 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
49 44 1 0 0 0 0
44 50 1 0 0 0 0
45 51 1 0 0 0 0
46 52 1 0 0 0 0
47 19 1 0 0 0 0
49 53 1 0 0 0 0
53 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 2 0 0 0 0
55 57 1 0 0 0 0
58 60 1 0 0 0 0
58 59 2 0 0 0 0
57 58 1 0 0 0 0
61 62 1 0 0 0 0
15 61 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 58 59 60
M SBL 1 1 65
M SMT 1 ^ COOH
M SBV 1 65 0.7422 30.4657
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 61 62
M SBL 2 1 67
M SMT 2 OCH3
M SBV 2 67 0.0000 -0.6796
S SKP 5
ID FL7AAHGL0014
FORMULA C40H41O22
EXACTMASS 873.208947996
AVERAGEMASS 873.7403400000001
SMILES C(OC(=O)CC(O)=O)C(C1O)OC(Oc(c24)cc(O)cc2[o+1]c(c(OC(O5)C(C(O)C(C5COC(C=Cc(c6)ccc(O)c6)=O)O)O)c4)c(c3)cc(c(c3OC)O)O)C(O)C(O)1
M END
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