Mol:FL3FAANI0009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 33  0  0  0  0  0  0  0  0999 V2000 
   -2.1410   -1.6490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1410   -0.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8555   -0.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5700   -0.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5700   -1.6490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8555   -2.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4266   -2.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7121   -1.6490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7121   -0.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4266   -0.4115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0024   -0.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7169   -0.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4313   -0.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4313    0.4135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7169    0.8260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0024    0.4135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4266   -2.8865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1458    0.8260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2844   -0.4115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8555   -2.8851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1458   -0.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8591   -0.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5724   -0.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2844   -0.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5724   -1.6462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7169    1.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0036    2.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0036    2.8865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7097    1.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7097    0.8288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4218    2.0622    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 
  1  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  2  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 
  7 17  2  0  0  0  0 
 18 14  1  0  0  0  0 
  4 19  1  0  0  0  0 
  6 20  1  0  0  0  0 
 13 21  1  0  0  0  0 
 21 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 
 27 28  1  0  0  0  0 
 27 29  1  0  0  0  0 
 29 30  2  0  0  0  0 
 29 31  1  0  0  0  0 
S  SKP  8 
ID	FL3FAANI0009 
KNApSAcK_ID	C00013409 
NAME	Yinyanghuo B;(-)-5,7-Dihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methyl-3-butenyl)-5-(3-methyl-2-butenyl)phenyl]-4H-1-benzopyran-4-one 
CAS_RN	174286-24-9 
FORMULA	C25H26O6 
EXACTMASS	422.172938564 
AVERAGEMASS	422.47033999999996 
SMILES	c(c(O)3)c(c(c1c3)C(C=C(c(c2)cc(c(O)c2CC=C(C)C)CC(O)C(C)=C)O1)=O)O 
M  END