Mol:FL2F3CGS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
41 44 0 0 0 0 0 0 0 0999 V2000
-0.4098 -0.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3028 0.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4066 -0.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3101 -1.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0228 -0.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0191 -0.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7390 -1.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4517 -0.8493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4480 -0.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7317 0.3850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1018 0.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8179 -0.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5307 0.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5275 1.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8115 1.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0986 1.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7401 -1.9082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0353 0.3241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1835 1.5657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1613 -0.0021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3028 1.0757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7401 0.4101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3274 -0.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5291 -0.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7356 -0.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1482 0.3924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9466 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1036 0.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5834 1.0462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2233 -0.0731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7761 -0.0456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7006 -0.7354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7006 -1.3828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2607 -1.7062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2690 -1.6319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8614 -0.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1835 0.4847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1624 -0.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5834 1.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1138 1.9082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0352 1.8980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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 2 1 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 6 1 0 0 0 0
9 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 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
1 18 1 0 0 0 0
14 19 1 0 0 0 0
13 20 1 0 0 0 0
2 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
32 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
30 36 1 0 0 0 0
36 37 2 0 0 0 0
36 38 1 0 0 0 0
29 39 1 0 0 0 0
39 40 2 0 0 0 0
39 41 1 0 0 0 0
S SKP 8
ID FL2F3CGS0003
KNApSAcK_ID C00014341
NAME 7,8,3',4'-Tetrahydroxyflavanone 7-(2,4,6-triacetylglucoside)
CAS_RN 194600-21-0
FORMULA C27H28O14
EXACTMASS 576.147905604
AVERAGEMASS 576.50282
SMILES C(O1)(Oc(c4)c(c(O2)c(c4)C(CC(c(c3)ccc(O)c3O)2)=O)O)C(OC(C)=O)C(O)C(OC(C)=O)C1COC(C)=O
M END
