Mol:PR101018
From Metabolomics.JP
ACD/Labs04270909582D
43 47 0 0 1 0 0 0 0 0 1 V2000
12.6523 -13.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8196 -12.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8196 -11.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6523 -11.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4849 -11.6548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.4849 -12.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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10.7217 -11.0705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6368 -7.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6368 -8.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4695 -8.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3021 -8.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3021 -7.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4695 -6.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1347 -8.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9674 -8.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9674 -7.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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12.6560 -8.9028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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8.7548 -11.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9221 -11.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0895 -11.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5874 -12.5829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0895 -10.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2569 -9.6986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4242 -10.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4242 -11.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2569 -11.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5916 -9.6986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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6 1 1 0 0 0 0
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10 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 9 1 0 0 0 0
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15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 13 1 0 0 0 0
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21 22 2 0 0 0 0
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23 24 2 0 0 0 0
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15 25 2 0 0 0 0
11 26 1 0 0 0 0
9 27 1 0 0 0 0
1 28 1 1 0 0 0
22 29 1 0 0 0 0
30 16 1 0 0 0 0
30 4 1 6 0 0 0
6 31 1 6 0 0 0
31 32 1 0 0 0 0
8 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
33 37 2 0 0 0 0
36 38 2 0 0 0 0
38 39 1 0 0 0 0
39 40 2 0 0 0 0
40 41 1 0 0 0 0
41 42 2 0 0 0 0
42 36 1 0 0 0 0
40 43 1 0 0 0 0
S SKP 7
CAS_RN 137018-32-7
NAME Kaempferol-3-Glucoside-2''-p-coumaroyl
ID PR101018
FORMULA C30H26O13
EXACTMASS 594.137340918
AVERAGEMASS 594.51964
SMILES Oc(c1)cc(O2)c(C(=O)C(OC(O5)C(C(O)C(C5CO)O)OC(=O)C=Cc(c4)ccc(O)c4)=C2c(c3)ccc(c3)O)c(O)1
M END
