Mol:FL7AACGL0082
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
100109 0 0 0 0 0 0 0 0999 V2000
-2.5366 -1.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5366 -2.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7998 -3.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0631 -2.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0631 -1.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7998 -1.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3262 -3.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4105 -2.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4105 -1.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3262 -1.4523 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.1470 -1.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8979 -1.8859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6488 -1.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6488 -0.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8979 -0.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1470 -0.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2731 -1.4524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3995 -0.1520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7998 -4.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9616 -3.6828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8979 0.7150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1242 -3.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7258 -3.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4920 -3.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2629 -3.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6613 -3.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8950 -3.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3843 -3.2813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4371 -2.7803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5928 -3.3327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0134 -3.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8842 -1.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3925 -2.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6847 -1.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0015 -1.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4979 -1.3764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1172 -1.7032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3698 -1.7562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0451 -2.2819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0453 -2.3091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3310 -0.4293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5625 -1.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6670 0.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1753 0.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5325 0.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2156 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7193 0.9355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1000 0.6087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2581 0.5979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8737 0.1352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1296 0.0238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4387 1.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4401 1.9578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1483 2.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2938 3.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7978 2.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3310 0.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0065 0.9696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5833 1.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8518 0.5891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1201 1.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1201 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8518 2.2786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5833 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3900 2.2777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0885 3.5665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3362 3.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5748 3.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3362 4.8075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0885 5.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8498 4.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8085 5.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3511 5.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0218 3.6480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5324 -4.6775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5324 -5.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7390 -5.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0616 -5.8061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2105 1.7603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0360 1.7603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4488 2.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0360 3.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2105 3.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2738 2.4752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2376 3.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8392 2.3419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6054 2.5608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3763 2.3419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7747 3.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0086 2.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6259 2.9377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4872 3.3767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3698 2.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0992 2.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0992 1.3115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3639 4.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3465 3.9962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9908 -5.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9908 -4.8146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3526 -5.8952 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
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
15 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
25 31 1 0 0 0 0
23 20 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 37 1 0 0 0 0
37 32 1 0 0 0 0
32 38 1 0 0 0 0
33 39 1 0 0 0 0
34 40 1 0 0 0 0
37 42 1 0 0 0 0
42 41 1 0 0 0 0
43 44 1 1 0 0 0
44 45 1 1 0 0 0
46 45 1 1 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
48 43 1 0 0 0 0
43 49 1 0 0 0 0
44 50 1 0 0 0 0
45 51 1 0 0 0 0
46 21 1 0 0 0 0
48 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 1 0 0 0 0
54 55 2 0 0 0 0
54 56 1 0 0 0 0
41 57 1 0 0 0 0
57 58 2 0 0 0 0
35 17 1 0 0 0 0
57 59 1 0 0 0 0
59 60 2 0 0 0 0
60 61 1 0 0 0 0
61 62 2 0 0 0 0
62 63 1 0 0 0 0
63 64 2 0 0 0 0
64 59 1 0 0 0 0
62 65 1 0 0 0 0
67 66 1 1 0 0 0
67 68 1 0 0 0 0
68 69 1 0 0 0 0
69 70 1 0 0 0 0
70 71 1 1 0 0 0
71 66 1 1 0 0 0
70 72 1 0 0 0 0
69 73 1 0 0 0 0
68 74 1 0 0 0 0
67 65 1 0 0 0 0
31 75 1 0 0 0 0
75 76 1 0 0 0 0
76 77 1 0 0 0 0
76 78 2 0 0 0 0
56 79 2 0 0 0 0
79 80 1 0 0 0 0
80 81 2 0 0 0 0
81 82 1 0 0 0 0
82 83 2 0 0 0 0
83 56 1 0 0 0 0
81 84 1 0 0 0 0
85 86 1 0 0 0 0
86 87 1 1 0 0 0
87 88 1 1 0 0 0
89 88 1 1 0 0 0
89 90 1 0 0 0 0
90 85 1 0 0 0 0
85 91 1 0 0 0 0
90 92 1 0 0 0 0
89 93 1 0 0 0 0
86 84 1 0 0 0 0
94 95 1 0 0 0 0
88 94 1 0 0 0 0
96 97 1 0 0 0 0
71 96 1 0 0 0 0
98100 1 0 0 0 0
98 99 2 0 0 0 0
77 98 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 94 95
M SBL 1 1 104
M SMT 1 CH2OH
M SBV 1 104 -0.7229 -0.0622
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 96 97
M SBL 2 1 106
M SMT 2 ^ CH2OH
M SBV 2 106 0.5141 -0.4778
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 3 98 99 100
M SBL 3 1 109
M SMT 3 ^ COOH
M SBV 3 109 0.7482 -0.4318
S SKP 5
ID FL7AACGL0082
FORMULA C62H71O38
EXACTMASS 1423.3623329079999
AVERAGEMASS 1424.2043400000002
SMILES C(O1)(C(C(O)C(O)C(Oc(c(c(c7)cc(OC(C8O)OC(COC(=O)c(c%10)ccc(c%10)OC(O9)C(O)C(O)C(C9CO)O)C(C(O)8)O)c(c7)O)6)cc(c5[o+1]6)c(O)cc(c5)OC(C(O)2)OC(COC(c(c4)ccc(c4)OC(C(O)3)OC(CO)C(C3O)O)=O)C(O)C2O)1)O)COC(=O)CC(=O)O
M END
