Mol:FL7AAAGL0075
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
139150 0 0 0 0 0 0 0 0999 V2000
8.2935 -3.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8811 -2.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8811 -4.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0079 -3.1777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8651 -3.9202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0560 -2.8757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8810 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4525 -2.5458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0560 -4.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5956 -4.7171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8811 -4.9646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6435 -3.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1666 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0561 -5.1297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4845 -4.6346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9291 -4.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0719 -3.2602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1665 -0.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4521 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2145 -3.5902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8810 -0.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4521 -0.0999 0.0000 O 0 3 0 0 0 4 0 0 0 0 0 0
5.7376 -1.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5001 -4.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8810 0.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5955 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7376 -0.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0231 -1.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5001 -4.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7856 -3.5901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5955 1.1376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3100 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0232 -0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3086 -1.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0231 -2.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7857 -5.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9430 -5.0834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3100 0.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5956 1.9626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.0245 -0.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3087 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7855 -6.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3426 -4.9844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0244 1.1376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5942 -0.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5000 -6.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0711 -6.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8380 -0.5136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5001 -7.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0712 -7.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8380 -1.3387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1235 -0.1011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4979 -0.5137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7856 -7.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1235 -1.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2504 -2.0531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4979 -1.3386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4090 -0.5136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7857 -8.5402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4090 -1.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7110 -2.4656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4535 -2.3227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1126 0.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7490 -0.5136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5840 -1.3386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8256 -1.9220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3274 0.8533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0833 1.6939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4958 2.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2583 1.6940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0833 3.1243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4958 3.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0833 4.5547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3208 3.8395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4958 5.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0833 5.9844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0832 6.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3687 5.5718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7433 5.9844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3688 7.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9082 6.8093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4133 7.3810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3455 5.9843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3456 6.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7814 7.9363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0389 7.7935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7581 5.2699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0056 5.9843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7581 7.5238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0055 6.8093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5830 5.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9955 5.9844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9956 4.5555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8206 5.9844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8205 4.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2331 5.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0581 5.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4706 4.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4705 5.9844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2955 4.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0580 3.8411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2955 5.9844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7081 5.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7080 3.8410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6267 2.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7081 6.6989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5331 5.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6267 1.9451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3411 3.1826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9666 2.7701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5331 6.6989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9456 5.9844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9456 4.5555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3413 1.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8017 1.9451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2967 1.3735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0556 2.7702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9454 7.4133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0556 1.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9287 0.8181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6713 0.9610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8806 2.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3856 3.3417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7705 7.4133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4681 1.2306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.7156 1.9452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2932 3.4846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.4851 7.8258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7705 6.5883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.4404 7.9848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1995 7.4133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0726 8.5402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.8150 8.3974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4850 6.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.1995 6.5884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.6120 8.1278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.8594 7.4133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0245 6.5884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.5295 6.0168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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1 3 1 0
1 4 1 6
1 5 1 1
2 6 1 0
2 7 1 1
2 8 1 6
3 9 1 0
3 10 1 1
3 11 1 6
6 12 1 0
7 13 1 0
9 12 1 0
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9 15 1 1
12 16 1 1
12 17 1 6
13 18 1 0
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107113 1 0
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108116 1 1
109117 1 0
111112 1 0
111118 1 0
114119 1 0
114120 1 1
114121 1 6
117119 1 0
117122 1 1
117123 1 6
119125 1 6
119126 1 1
122127 1 0
124118 1 6
124128 1 0
124129 1 0
124130 1 1
128131 1 0
128132 1 1
128133 1 6
129134 1 0
131135 1 0
131136 1 6
131137 1 1
134135 1 0
135138 1 1
135139 1 6
M CHG 1 22 1
S SKP 5
ID FL7AAAGL0075
FORMULA C72H77O41
EXACTMASS 1597.394026966
AVERAGEMASS 1598.35718
SMILES [H]C(COC(=O)C(=C(c(c%12)ccc(c%12)O)[H])[H])(O1)C([H])(O)C([H])(O)C(C1(Oc(c3)c([o+1]c(c4)c3c(cc4OC(O5)(C(C(C(C([H])5COC(=O)CCC(OCC([H])(C([H])(O)%11)OC([H])(C([H])(O)C%11([H])O)Oc(c6)ccc(C(O7)=C(OC(O%10)(C([H])(O)C(C(C([H])%10CO)([H])O)([H])O)[H])C(c(c9O)c7cc(c9)OC([H])(C([H])(O)8)OCC(C8([H])O)([H])O)=O)c6)=O)([H])O)([H])O)([H])O)[H])O)c(c2)cc(O)c(c(O)2)O)[H])([H])O
M END
