Mol:FL7AAAGL0076
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
117128 0 0 0 0 0 0 0 0999 V2000
9.1106 0.2247 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3961 0.6372 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3961 1.4622 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6816 0.2247 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1106 1.8747 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6816 1.8747 -2.5960 O 0 3 0 0 0 5 0 0 0 0 0 0
6.9671 0.6372 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3194 -3.3602 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1106 2.6997 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8251 1.4622 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9671 1.4622 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2526 0.2247 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3194 -4.1852 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6049 -2.9477 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8251 3.1122 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5396 1.8747 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2526 1.8747 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5382 0.6372 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2526 -0.6004 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6049 -4.5977 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7623 -4.4410 -2.5960 H 0 0 0 0 0 0 0 0 0 0 0 0
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9.8251 3.9373 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
11.2540 1.4622 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5381 1.4622 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6049 -5.4228 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1619 -4.3420 -2.5960 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2541 3.1123 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3193 -5.8353 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8904 -5.8352 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3194 -6.6602 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8904 -6.6603 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6049 -7.0728 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6049 -7.8978 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6802 2.8919 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2677 3.6071 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6802 4.3223 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4426 3.6071 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2677 5.0375 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6802 5.7527 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2677 6.4679 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5052 5.7527 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4898 7.2407 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2043 6.8282 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.2043 6.0033 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6332 6.8283 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9188 5.5908 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6332 6.0032 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3477 5.5907 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
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8.7420 -2.5132 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4564 -2.1007 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2473 -1.3026 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4564 -0.5094 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7420 -0.9218 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9510 -1.7199 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8307 -0.7192 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9555 -3.3101 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4564 -2.9257 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2365 -2.1324 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0230 -2.9293 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6443 1.6245 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8701 1.6919 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2826 0.9775 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0807 1.1866 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8739 0.9775 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4615 1.6919 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6634 1.4829 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6641 0.6032 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0732 1.4784 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4576 0.9775 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2509 2.1974 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9768 1.5689 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2624 1.9814 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4715 2.7795 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2624 3.5727 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9768 3.1603 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7678 2.3622 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
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-4.4823 1.9497 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6958 1.1528 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.1100 5.6308 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.6640 4.5343 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.9495 4.1219 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.3629 4.7020 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5714 4.9175 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.2858 5.3300 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.8725 4.7499 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5660 4.4885 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.1595 4.1287 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.6640 3.7094 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7582 6.9976 1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1069 7.5801 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4933 6.9109 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2496 7.1232 2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9973 6.9109 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3838 7.5801 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6407 7.3678 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8678 7.5614 2.1664 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9467 7.8978 2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1776 7.3674 2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.5666 5.0620 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.2541 4.8472 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
2 4 2 0
3 5 1 0
3 6 2 0
4 7 1 0
5 9 1 0
5 10 2 0
6 11 1 0
7 11 2 0
7 12 1 0
8 13 1 0
8 14 2 0
9 15 2 0
10 16 1 0
11 17 1 0
12 18 2 0
12 19 1 0
13 20 2 0
13 21 1 0
15 22 1 0
15 23 1 0
16 22 2 0
16 24 1 0
17 25 2 0
18 25 1 0
20 26 1 0
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32 33 1 0
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35 36 1 0
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37 39 1 0
39 40 1 0
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43 44 1 0
44 45 2 0
44 46 1 0
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48 49 1 0
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50 52 1 0
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55 56 2 0
55 58 1 0
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59 62 1 0
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63 64 1 1
65 64 1 1
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85 86 1 1
87 86 1 1
88 87 1 1
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90 94 1 0
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97 98 1 1
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100 99 1 1
100101 1 0
101102 1 0
102 97 1 0
100 96 1 0
99103 1 0
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98105 1 0
60 96 1 0
107108 1 0
108109 1 1
109110 1 1
111110 1 1
111112 1 0
112107 1 0
107113 1 0
112114 1 0
110106 1 0
111115 1 0
41106 1 0
108 43 1 0
54 88 1 0
102116 1 0
116117 1 0
M CHG 1 6 1
S SKP 9
AUTODRAW FALSE
ID FL7AAAGL0076
KNApSAcK_ID C00014802
NAME
CAS_RN 270062-82-3
FORMULA C73H79O42
EXACTMASS 1627.404591652
AVERAGEMASS 1628.3831599999999
SMILES C(C(OC(C(O)%12)OC(C(O)C%12O)CO)=3)(=O)c(c(OC3c(c%11)ccc(c%11)OC(C%10O)OC(C(C%10O)O)COC(=O)CCC(=O)OCC(C9O)OC(C(C9O)O)Oc(c8)cc(c(c8O)4)[o+1]c(c(c7)cc(O)c(O)c(O)7)c(OC(C6O)OC(C(C(O)6)O)COC(C([H])=C([H])c(c5)ccc(c5)O)=O)c4)1)c(cc(OC(O2)C(C(C(O)C2CO)O)O)c1)O
M END
