Mol:FL7AACGL0084
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
95103 0 0 0 0 0 0 0 0999 V2000
-3.4550 3.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4550 2.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7406 2.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0261 2.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0261 3.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7406 3.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3116 2.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5971 2.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5971 3.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3116 3.7862 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.1173 3.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8318 3.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5463 3.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5463 4.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8318 5.0237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1173 4.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2607 5.0237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1695 3.7862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7393 1.3098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1173 2.1362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2607 3.3737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5337 1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1212 0.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3231 1.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5299 0.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9423 1.6995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7404 1.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3524 1.2428 0.2144 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7962 0.5657 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0026 0.7826 -0.0063 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2280 0.5705 -0.2144 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7841 1.2477 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5777 1.0308 0.0063 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0690 1.9148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7125 2.6100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8680 0.6433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1024 1.5465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7386 1.1074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0572 -0.2190 0.1454 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7204 -0.4944 0.1359 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3473 0.2326 0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4169 1.0422 -0.1454 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3607 1.3177 -0.1359 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0123 0.5907 -0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0526 1.0211 -0.2144 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8130 0.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1443 0.6171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5069 -1.2912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0572 -1.0440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 0.5705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5860 0.1992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5120 0.7293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6093 -0.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5300 -0.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2445 -0.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9590 -0.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9590 -1.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6734 -1.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3879 -1.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3879 -0.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6734 -0.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1024 -0.1440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1024 0.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1024 -1.7940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6734 -2.6190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9590 -3.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7277 0.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7277 -0.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4421 0.4462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0132 -1.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0132 -2.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7277 -2.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7277 -3.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0132 -3.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2987 -3.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2987 -2.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0132 -4.5038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1250 3.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7125 4.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1250 4.7534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.5671 -5.1869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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6 1 2 0 0 0 0
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7 8 2 0 0 0 0
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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
14 17 1 0 0 0 0
8 9 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
9 10 2 0 0 0 0
8 20 1 0 0 0 0
9 11 1 0 0 0 0
13 21 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 27 1 0 0 0 0
27 22 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 1 0 0 0
31 30 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
19 25 1 0 0 0 0
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34 35 1 0 0 0 0
24 36 1 0 0 0 0
22 37 1 0 0 0 0
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40 39 1 1 0 0 0
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40 48 1 0 0 0 0
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32 45 1 0 0 0 0
31 50 1 0 0 0 0
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29 52 1 0 0 0 0
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60 62 1 0 0 0 0
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67 68 1 0 0 0 0
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75 76 2 0 0 0 0
76 71 1 0 0 0 0
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78 35 1 0 0 0 0
79 78 1 0 0 0 0
80 79 1 0 0 0 0
80 81 1 0 0 0 0
80 82 2 0 0 0 0
78 83 2 0 0 0 0
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86 87 1 0 0 0 0
87 88 1 1 0 0 0
88 89 1 1 0 0 0
84 89 1 1 0 0 0
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86 90 1 0 0 0 0
90 91 1 0 0 0 0
89 92 1 0 0 0 0
87 93 1 0 0 0 0
88 94 1 0 0 0 0
53 95 2 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AACGL0084
FORMULA C61H67O34
EXACTMASS 1343.351374292
AVERAGEMASS 1344.16428
SMILES OC(CC(=O)OCC(C9O)OC(C(O)C9O)Oc(c81)cc(cc([o+1]c(c(c8)OC(O5)C(C(O)C(C5COC(=O)C=Cc(c7)ccc(c7)OC(O6)C(O)C(C(C(CO)6)O)O)O)OC(C(OC(=O)C=Cc(c4)cc(OC)c(O)c(OC)4)3)OCC(O)C3O)c(c2)cc(c(O)c2)O)1)O)=O
M END
