Mol:FL2FAAGI0003
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
37 40 0 0 0 0 0 0 0 0999 V2000
-0.8554 0.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1428 0.5019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8522 -0.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1355 -1.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5772 -0.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5735 0.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2934 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0061 -0.7261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0024 0.0989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2861 0.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6562 0.4798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3723 0.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0851 0.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0819 1.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3659 1.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6530 1.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2945 -1.7850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1355 -1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6689 1.6491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1263 1.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4732 0.4430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1857 0.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7730 -0.1319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9747 0.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1812 -0.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5938 0.5652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3922 0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5491 0.9419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0290 1.2190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6689 0.0996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2217 0.1272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1462 -0.5627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7069 1.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2669 1.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2669 0.8689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8408 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4763 1.4893 0.0000 O 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 6 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
4 18 1 0 0 0 0
14 19 1 0 0 0 0
2 20 1 0 0 0 0
1 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 21 1 0 0 0 0
20 33 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
34 36 1 0 0 0 0
36 37 1 0 0 0 0
S SKP 8
ID FL2FAAGI0003
KNApSAcK_ID C00014361
NAME Phellodensin E;5,7,4'-Trihydroxy-8-C-(3-hydroxymethyl-2-butenyl)flavanone 7-glucoside
CAS_RN 531503-85-2
FORMULA C26H30O11
EXACTMASS 518.1788118019999
AVERAGEMASS 518.5098
SMILES C(C4)(Oc(c3C4=O)c(CC=C(CO)C)c(cc3O)OC(O2)C(C(C(O)C(CO)2)O)O)c(c1)ccc(O)c1
M END
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