Mol:FL7AACGA0018
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
62 67 0 0 0 0 0 0 0 0999 V2000
0.0667 -3.1320 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8697 1.5667 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8697 0.7415 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1552 0.3290 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4407 0.7415 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4407 1.5667 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1552 1.9792 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7261 0.3290 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0117 0.7415 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0117 1.5667 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7261 1.9792 -0.3295 O 0 3 0 0 0 0 0 0 0 0 0 0
-0.2974 1.9789 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4308 1.5586 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1591 1.9789 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1591 2.8199 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4308 3.2403 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2974 2.8199 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5839 1.9789 -0.3295 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5424 3.0411 -0.3295 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1552 -0.4958 -0.3295 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1674 0.1596 -0.3295 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4308 4.0810 -0.3295 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5224 -1.2310 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1468 -0.8447 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0655 -1.5875 -0.3295 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1468 -2.3351 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5224 -2.7216 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3101 -1.9786 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5037 -0.4702 -0.7591 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8400 -2.2845 -0.3295 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4980 -2.7216 -0.3295 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8933 0.9793 -0.3461 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1627 1.4012 -0.3461 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2089 0.9094 -0.5596 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1625 2.2226 -0.3584 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6307 2.5403 -0.5215 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6304 3.4133 -0.5346 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9397 3.8260 -0.7466 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9395 4.6580 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6298 5.0773 -0.5594 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3206 4.6645 -0.3475 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3208 3.8327 -0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6295 5.9090 -0.5718 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9239 -0.0830 0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4472 0.5462 0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7607 0.2793 0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0982 0.2721 0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5797 -0.2094 0.7591 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1802 0.1076 0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5839 0.2979 0.7591 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1904 0.5824 0.7591 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7774 -0.5372 0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7774 -1.2260 0.7591 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0929 5.1105 -0.3475 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3458 -3.8465 -0.3295 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3458 -4.6715 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0602 -5.0840 -0.3295 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3687 -5.0840 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0832 -4.6715 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7976 -5.0840 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5121 -4.6715 -0.3295 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7976 -5.9090 -0.3295 O 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 2 2 0
5 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
11 6 1 0
10 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 12 1 0
2 18 1 0
15 19 1 0
4 20 1 0
21 9 1 0
16 22 1 0
23 24 1 0
24 25 1 1
25 26 1 1
27 26 1 1
27 28 1 0
28 23 1 0
23 29 1 0
28 30 1 0
27 31 1 0
24 21 1 0
33 34 1 0
33 35 1 0
35 36 2 0
36 37 1 0
37 38 2 0
38 39 1 0
39 40 2 0
40 41 1 0
41 42 2 0
42 37 1 0
40 43 1 0
32 33 2 0
44 45 1 0
45 46 1 0
47 46 1 0
47 48 1 1
49 48 1 1
44 49 1 1
44 50 1 0
45 51 1 0
49 52 1 0
52 53 1 0
29 47 1 0
34 46 1 0
41 54 1 0
26 1 1 0
1 55 1 0
55 56 1 0
56 57 2 0
56 58 1 0
58 59 1 0
59 60 1 0
60 61 2 0
60 62 1 0
M CHG 1 11 1
S SKP 9
AUTODRAW FALSE
ID FL7AACGA0018
KNApSAcK_ID
NAME
CAS_RN 1392667-22-9
FORMULA C40H41O22
EXACTMASS 873.208947996
AVERAGEMASS 873.7403400000001
SMILES Oc(c6O)ccc(c6)c(c(OC(C(OC(C4OC(=O)C=Cc(c5)cc(c(O)c5)O)OC(C(O)C(O)4)CO)3)OC(C(O)C3O)COC(=O)CCC(O)=O)2)[o+1]c(c1)c(c2)c(cc(O)1)O
M END
