Mol:FL2FBANC0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
43 48 0 0 0 0 0 0 0 0999 V2000
-0.2824 -2.6620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0011 -2.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4280 -2.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4192 -1.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2995 -1.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0097 -1.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3081 -0.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0268 0.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7369 -0.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7284 -1.0269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3959 0.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4039 0.9948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1224 1.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8328 0.9809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8247 0.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1062 -0.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4293 1.3175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2751 -3.4081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3356 -3.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1422 -2.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8542 -2.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8471 -1.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.1467 -3.3365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3114 0.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3064 0.9318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8620 1.2575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3225 1.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3278 2.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0790 2.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0844 3.3475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8016 3.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5133 3.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5079 2.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7907 2.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0454 3.6406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4355 -1.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1527 -1.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.1418 0.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4300 -0.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4293 0.1030 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
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5 6 2 0 0 0 0
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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 1 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
1 18 1 0 0 0 0
18 19 1 0 0 0 0
3 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 4 1 0 0 0 0
20 24 2 0 0 0 0
7 25 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 6 0 0 0
26 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
33 34 1 0 0 0 0
34 35 2 0 0 0 0
35 30 1 0 0 0 0
33 36 1 0 0 0 0
22 37 1 0 0 0 0
37 38 2 0 0 0 0
38 39 1 0 0 0 0
39 40 2 0 0 0 0
40 41 1 0 0 0 0
41 42 2 0 0 0 0
42 37 1 0 0 0 0
40 43 1 0 0 0 0
S SKP 8
ID FL2FBANC0006
KNApSAcK_ID C00014290
NAME Calyxin M
CAS_RN 332877-84-6
FORMULA C35H34O8
EXACTMASS 582.225368064
AVERAGEMASS 582.63966
SMILES O(c52)C(CC(CC(O)CCc(c6)ccc(c6)O)c2c(c(c(c5)OC)4)OC(CC(=O)4)c(c3)ccc(c3)O)c(c1)ccc(O)c1
M END
