Mol:FL7AACGL0020
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 0 0 0 0 0 0999 V2000
-3.5696 -0.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5697 -1.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8602 -1.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1508 -1.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1508 -0.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8602 -0.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4415 -1.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7320 -1.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7320 -0.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4414 -0.2190 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
-0.0228 -0.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7002 -0.6365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4233 -0.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4233 0.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7001 1.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0229 0.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8603 -2.6761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7002 1.8678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1384 -1.9378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2788 -0.2191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1461 1.0330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5583 -3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1125 -3.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9699 -3.5482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8328 -3.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2788 -3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4212 -3.2659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6099 -3.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3795 -1.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9336 -2.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7911 -1.8180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6538 -2.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1000 -1.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2422 -1.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5732 -1.4522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7822 -0.9049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8743 -1.4680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3285 -1.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9744 -2.1746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6009 -3.5681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4172 -4.3005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8548 -4.5678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7411 3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6355 2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8533 2.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2331 1.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4224 2.4745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1515 2.5022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4143 3.1343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1746 2.5392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5337 1.4202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4143 3.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9546 4.5678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 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
3 17 1 0 0 0 0
15 18 1 0 0 0 0
19 8 1 0 0 0 0
1 20 1 0 0 0 0
14 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 29 1 0 0 0 0
29 35 1 0 0 0 0
34 36 1 0 0 0 0
33 37 1 0 0 0 0
32 38 1 0 0 0 0
26 39 1 0 0 0 0
38 39 1 0 0 0 0
23 40 1 0 0 0 0
24 41 1 0 0 0 0
25 42 1 0 0 0 0
30 19 1 0 0 0 0
43 44 1 1 0 0 0
44 45 1 1 0 0 0
46 45 1 1 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
48 43 1 0 0 0 0
43 49 1 0 0 0 0
44 50 1 0 0 0 0
45 51 1 0 0 0 0
46 18 1 0 0 0 0
52 53 1 0 0 0 0
48 52 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 52 53
M SBL 1 1 58
M SMT 1 ^ CH2OH
M SBV 1 58 0.2628 -0.9105
S SKP 5
ID FL7AACGL0020
FORMULA C33H41O20
EXACTMASS 757.219118752
AVERAGEMASS 757.6666399999999
SMILES c(c2c(c(OC(O5)C(C(O)C(C(COC(C6O)OC(C(O)C(O)6)C)5)O)O)4)[o+1]c(c3c4)cc(cc3O)O)cc(O)c(c2)OC(C(O)1)OC(CO)C(O)C(O)1
M END
