Mol:FL3FA9GM0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 45 0 0 0 0 0 0 0 0999 V2000
4.3914 0.8074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3914 -0.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1059 -0.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8203 -0.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8203 0.8074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1059 1.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6769 -0.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9625 -0.0176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2480 -0.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2480 -1.2551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9625 -1.6676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6769 -1.2551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5335 -0.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8190 -0.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8190 -1.2551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5335 -1.6676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9625 -2.3859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1046 -0.0176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5335 -2.3535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1972 -1.6141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5335 0.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6461 0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2336 -0.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4355 -0.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6423 -0.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0547 0.1871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8529 -0.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0098 0.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4895 0.8407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1291 -0.2783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6821 -0.2508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6069 -0.9404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4895 1.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9490 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1444 1.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7833 1.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5638 2.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1831 1.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1831 0.9169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8203 2.0144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7833 2.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7833 0.9490 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
16 19 1 0 0 0 0
15 20 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
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
25 18 1 0 0 0 0
29 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 39 2 0 0 0 0
38 40 1 0 0 0 0
36 41 1 0 0 0 0
36 42 1 0 0 0 0
S SKP 8
ID FL3FA9GM0002
KNApSAcK_ID C00013729
NAME Matteuorienate C;5,7-Dihydroxy-6,8-di-C-methylflavone 7-[6''-(3-hydroxy-3-methylglutaryl)glucoside];7-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-5-hydroxy-6,8-dimethyl-2-phenyl-4H-1-benzopyran-4-one
CAS_RN 171439-54-6
FORMULA C29H32O13
EXACTMASS 588.18429111
AVERAGEMASS 588.5565799999999
SMILES C(O)(=O)CC(C)(O)CC(=O)OCC(C(O)1)OC(Oc(c(C)2)c(C)c(O)c(C3=O)c(OC(c(c4)cccc4)=C3)2)C(O)C1O
M END
