Mol:FL5FCENI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
29 31 0 0 0 0 0 0 0 0999 V2000
-2.3203 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3203 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7640 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2077 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2077 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7640 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6514 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0951 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0951 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6514 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6514 -1.7853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4610 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0280 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5949 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5949 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0280 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4610 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4847 -1.2697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7640 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7640 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0280 1.6366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3201 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3201 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8762 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7640 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1617 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8762 0.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6776 0.2978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1777 1.1638 0.0000 C 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 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
8 18 1 0 0 0 0
3 19 1 0 0 0 0
6 20 1 0 0 0 0
16 21 1 0 0 0 0
20 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
15 26 1 0 0 0 0
26 27 1 0 0 0 0
1 28 1 0 0 0 0
28 29 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 28 29
M SBL 2 1 30
M SMT 2 OCH3
M SVB 2 30 -2.6776 0.2978
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 28
M SMT 1 OCH3
M SVB 1 28 2.1617 0.9821
S SKP 8
ID FL5FCENI0001
KNApSAcK_ID C00005026
NAME Rhynchospermin
CAS_RN 80370-37-2
FORMULA C22H22O7
EXACTMASS 398.136553058
AVERAGEMASS 398.40588
SMILES c(c1)c(OC)c(cc1C(=C3O)Oc(c(CC=C(C)C)2)c(C3=O)c(O)cc(OC)2)O
M END
