Mol:FL2FALNP0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-3.3536 -1.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8327 -1.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3118 -1.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3118 -0.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8327 -0.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3536 -0.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8327 -1.9615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8739 -0.2535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7909 -1.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2700 -1.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2700 -0.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7909 -0.2532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7496 -0.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7909 -1.9800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2153 -0.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3191 -0.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3191 0.3636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2153 0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7496 0.3636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8534 0.6721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2153 1.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2670 0.6721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8365 1.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3106 1.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3609 1.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4447 0.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0520 1.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6593 0.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2666 1.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8739 0.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2666 1.9800 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
2 7 1 0 0 0 0
6 8 1 0 0 0 0
3 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 4 1 0 0 0 0
11 13 1 0 0 0 0
9 14 2 0 0 0 0
13 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 13 1 0 0 0 0
20 17 1 0 0 0 0
18 21 1 0 0 0 0
22 19 1 0 0 0 0
20 23 1 0 0 0 0
23 24 1 0 0 0 0
24 21 2 0 0 0 0
23 25 1 0 0 0 0
23 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
S SKP 8
ID FL2FALNP0011
KNApSAcK_ID C00008382
NAME Sanggenon N
CAS_RN 92280-12-1
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES CC(CCC=C(C)C)(C=4)Oc(c(C4)3)ccc(c(O)3)C(C1)Oc(c2)c(c(cc2O)O)C1=O
M END
