Mol:FL7AAAGL0013
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
52 57 0 0 0 0 0 0 0 0999 V2000
-2.3271 1.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3270 0.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6260 0.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9250 0.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9250 1.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6260 1.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2239 0.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4770 0.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4771 1.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2240 1.6728 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.1778 1.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8921 1.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6067 1.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6066 2.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8921 2.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1778 2.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3208 2.9099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0277 1.6727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6258 -0.7552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7593 -0.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1095 -1.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1739 -1.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2711 -1.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9271 -0.5941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7458 -1.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4304 -1.0599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8529 -1.4889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4288 -1.7707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9743 -1.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9010 -2.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5363 -2.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3715 -1.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4448 -1.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8094 -1.6279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4309 -2.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3812 0.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9607 -0.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7694 -0.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5832 -0.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0038 0.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1950 0.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7045 0.4205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6737 0.8106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7255 0.2713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2746 -0.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8443 -0.5608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2817 -2.4546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2958 -2.9101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6522 -2.5798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3247 0.0129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4526 -0.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6522 0.0232 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
14 17 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 19 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
36 37 1 0 0 0 0
37 38 1 1 0 0 0
38 39 1 1 0 0 0
40 39 1 1 0 0 0
40 41 1 0 0 0 0
41 36 1 0 0 0 0
36 42 1 0 0 0 0
41 43 1 0 0 0 0
40 44 1 0 0 0 0
39 45 1 0 0 0 0
33 46 1 0 0 0 0
45 46 1 0 0 0 0
30 47 1 0 0 0 0
31 48 1 0 0 0 0
32 49 1 0 0 0 0
50 8 1 0 0 0 0
37 50 1 0 0 0 0
51 52 1 0 0 0 0
25 51 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 51 52
M SBL 1 1 57
M SMT 1 ^ CH2OH
M SBV 1 57 0.7068 -0.6632
S SKP 5
ID FL7AAAGL0013
FORMULA C33H41O19
EXACTMASS 741.22420413
AVERAGEMASS 741.66724
SMILES C(O)C(C6O)OC(C(C6O)O)Oc(c41)cc(cc([o+1]c(c(c5)ccc(c5)O)c(c4)OC(O2)C(O)C(O)C(C(COC(C3O)OC(C(O)C(O)3)C)2)O)1)O
M END
