Mol:FL2FAANF0001

From Metabolomics.JP
Jump to: navigation, search

FL2FAANF0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 34  0  0  0  0  0  0  0  0999 V2000 
   -1.0590   -0.9706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5381   -1.2713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0172   -0.9706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0172   -0.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5381   -0.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0590   -0.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5037   -1.2713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0245   -0.9706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0245   -0.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5037   -0.0684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5449   -0.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5037   -1.7953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0793   -0.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6136   -0.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6136    0.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0793    0.8568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5449    0.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5381   -1.7357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5794   -1.2711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1381    0.8511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0997   -0.9706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6189   -1.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1381   -0.9706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6189   -1.8699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6632    0.5199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2613    0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5060    0.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5618    1.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2620    1.6223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1613    1.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0044    1.8699    0.0000 O   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  0  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 
  2 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
 19 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22 23  1  0  0  0  0 
 22 24  1  0  0  0  0 
  5 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27  6  1  0  0  0  0 
 26 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
 28 30  1  0  0  0  0 
 28 31  1  0  0  0  0 
S  SKP  8 
ID	FL2FAANF0001 
KNApSAcK_ID	C00008425 
NAME	Lonchocarpol C;(-)-Lonchocarpol C 
CAS_RN	111545-13-2 
FORMULA	C25H28O6 
EXACTMASS	424.188588628 
AVERAGEMASS	424.48622 
SMILES	C(C(O4)Cc(c43)c(c(c(O)c3CC=C(C)C)1)OC(c(c2)ccc(c2)O)CC1=O)(C)(C)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox