Mol:FL2FBCNP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
28 32 0 0 0 0 0 0 0 0999 V2000
-1.7409 -0.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2200 -0.9533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6991 -0.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6991 -0.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2200 0.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7409 -0.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1782 -0.9533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3426 -0.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3426 -0.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1782 0.2496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8630 0.2493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1782 -1.4772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3974 -0.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9317 0.2493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9317 0.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3974 1.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8630 0.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2200 0.8924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7409 1.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2618 0.2496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2618 0.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4399 1.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8812 0.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5186 0.0587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8812 0.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5186 1.0570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6743 -1.1035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9598 -1.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 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 4 1 0 0 0 0
9 11 1 6 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
5 18 1 0 0 0 0
18 19 2 0 0 0 0
20 6 1 0 0 0 0
19 21 1 0 0 0 0
21 20 1 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
14 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 15 1 0 0 0 0
2 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 31
M SMT 1 OCH3
M SBV 1 31 -8.4049 4.3543
S SKP 8
ID FL2FBCNP0001
KNApSAcK_ID C00008529
NAME Isoglabrachromene
CAS_RN 138590-91-7
FORMULA C22H20O6
EXACTMASS 380.125988372
AVERAGEMASS 380.3906
SMILES c(c(OC)2)c(c(c(O3)c2C(=O)CC3c(c5)cc(O4)c(c5)OC4)1)OC(C=C1)(C)C
M END
