Mol:FL5FACGS0076
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
55 60 0 0 0 0 0 0 0 0999 V2000
1.1147 4.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1147 3.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8291 3.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5436 3.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5436 4.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8291 4.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4002 3.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3143 3.4328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0288 3.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0288 2.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3143 1.7828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4002 2.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7432 3.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4577 3.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4577 2.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7432 1.7828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3143 0.9578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1722 3.4328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-1.7432 0.9578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1355 4.5995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1722 3.0699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1886 -0.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6017 -0.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0397 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7730 0.8165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9827 1.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5446 0.3547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0288 0.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5105 0.5466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2093 -0.7070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-0.5703 -2.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2422 -2.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5965 -1.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2812 -1.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4687 -0.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1143 -1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4746 -1.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9958 -1.6122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0601 -2.2024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4926 -2.8177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1902 -1.8380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4261 -3.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3913 -4.1055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7166 -3.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3830 -2.8602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5655 -2.7468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2402 -3.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3186 -3.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8319 -3.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3416 -4.6703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0887 -4.3005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1163 -3.8754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
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3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
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7 8 1 0 0 0 0
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9 10 2 0 0 0 0
10 11 1 0 0 0 0
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12 7 2 0 0 0 0
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15 16 2 0 0 0 0
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16 20 1 0 0 0 0
5 21 1 0 0 0 0
4 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
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28 23 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
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34 35 1 1 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 34 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
34 42 1 0 0 0 0
35 43 1 0 0 0 0
36 44 1 0 0 0 0
37 33 1 0 0 0 0
45 46 1 1 0 0 0
46 47 1 1 0 0 0
48 47 1 1 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
50 45 1 0 0 0 0
50 51 1 0 0 0 0
51 52 1 0 0 0 0
45 53 1 0 0 0 0
46 54 1 0 0 0 0
47 55 1 0 0 0 0
48 44 1 0 0 0 0
S SKP 8
ID FL5FACGS0076
KNApSAcK_ID C00013848
NAME Quercetin 3-glucosyl-(1->2)-galactosyl-(1->2)-glucoside;3-[(O-beta-D-Glucopyranosyl-(1->2)-O-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
CAS_RN 197250-97-8
FORMULA C33H40O22
EXACTMASS 788.201122964
AVERAGEMASS 788.6575
SMILES O(C1OC(C(O)6)C(OC(C6O)CO)OC(=C(c(c5)ccc(O)c5O)3)C(=O)c(c4O)c(cc(O)c4)O3)C(CO)C(O)C(C(OC(O2)C(O)C(O)C(O)C2CO)1)O
M END
