Mol:FL5FAAGS0099
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
65 71 0 0 0 0 0 0 0 0999 V2000
4.0857 3.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0857 2.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8001 2.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5146 2.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5146 3.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8001 3.8079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3712 2.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6567 2.5704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9423 2.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9423 1.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6567 0.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3712 1.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2278 2.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5133 2.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5133 1.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2278 0.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6567 0.2021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2011 2.5704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9775 0.9828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1153 3.7422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2278 0.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4589 -1.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2616 -1.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6575 -0.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3670 -0.1055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5643 0.0852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1683 -0.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6348 -0.3506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1041 -0.5092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4785 -1.7426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7654 -1.3987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0050 -1.0903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0746 -3.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8773 -3.3156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2732 -2.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9827 -2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1800 -1.9801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7840 -2.7039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2505 -2.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7198 -2.5745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0942 -3.8079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3811 -3.4640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6207 -3.1557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8338 2.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3276 1.5711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5656 1.8872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7488 1.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2549 2.4224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0171 2.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2374 2.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6630 2.9519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2113 1.7244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7228 1.6207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1285 1.3247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7378 1.6616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2316 1.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4696 1.3262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6528 1.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1589 1.8614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9211 1.5454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1414 2.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5670 2.3909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1153 1.1634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6268 1.0597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0325 0.7637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
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
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
5 20 1 0 0 0 0
16 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
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
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58 57 1 1 0 0 0
58 59 1 0 0 0 0
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58 52 1 0 0 0 0
18 47 1 0 0 0 0
S SKP 8
ID FL5FAAGS0099
KNApSAcK_ID C00013766
NAME Kaempferol 3-sophoroside-7-cellobioside;3-[(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-7-[(4-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 220342-42-7
FORMULA C39H50O26
EXACTMASS 934.2590317720001
AVERAGEMASS 934.7987
SMILES O(C(C7CO)C(O)C(O)C(O7)Oc(c6)cc(c(c65)C(=O)C(=C(O5)c(c4)ccc(O)c4)OC(O3)C(C(C(O)C(CO)3)O)OC(C2O)OC(CO)C(C(O)2)O)O)C(C(O)1)OC(CO)C(C(O)1)O
M END
