Mol:FL5FAGGN0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
46 51 0 0 0 0 0 0 0 0999 V2000
-1.1752 -2.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4692 -2.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4692 -1.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1752 -0.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8812 -1.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.2368 -2.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.9428 -1.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2368 -0.8039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7707 -0.7335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4865 -1.1467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2023 -0.7335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2023 0.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4865 0.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7707 0.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7917 0.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8001 -1.0786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-2.5173 -0.8442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-0.1337 2.3196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6390 2.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.9129 1.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1402 2.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7302 2.3471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1337 3.0967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2299 2.7543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2182 1.6912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1860 1.0477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7334 1.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9195 1.7423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1774 0.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1752 -0.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5150 -0.0906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9357 0.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9357 1.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5705 1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2054 1.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2054 0.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5705 -0.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8001 1.4249 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 2 0 0 0 0
9 10 1 0 0 0 0
10 3 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
14 17 1 0 0 0 0
13 18 1 0 0 0 0
8 19 1 0 0 0 0
7 20 2 0 0 0 0
1 21 1 0 0 0 0
5 22 1 0 0 0 0
15 23 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
28 27 1 1 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
23 28 1 0 0 0 0
29 30 1 0 0 0 0
25 31 1 0 0 0 0
24 32 1 0 0 0 0
26 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 2 0 0 0 0
35 37 1 0 0 0 0
4 38 1 0 0 0 0
38 37 1 1 0 0 0
38 39 1 6 0 0 0
38 40 1 0 0 0 0
40 41 2 0 0 0 0
41 42 1 0 0 0 0
42 43 2 0 0 0 0
43 44 1 0 0 0 0
44 45 2 0 0 0 0
45 40 1 0 0 0 0
43 46 1 0 0 0 0
S SKP 8
ID FL5FAGGN0002
KNApSAcK_ID C00011177
NAME Nympholide B
CAS_RN 604004-59-3
FORMULA C30H26O15
EXACTMASS 626.127170162
AVERAGEMASS 626.51844
SMILES Oc(c1)c(c(O3)cc1C(O6)=C(C(c(c62)c(cc(O)c2C(c(c5)ccc(c5)O)([H])CC(OCC(C(O)4)OC3C(O)C(O)4)=O)O)=O)O)O
M END
