480802
  CDK     0602212312

 30 32  0  0  0  0  0  0  0  0999 V2000
    6.6743    0.4764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    2.9800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.5050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6647    3.0085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2732   -0.7607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9368    1.7425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    1.7425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9368    0.9175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4218    0.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1346    0.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    0.9175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    0.5050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6743    2.1835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8443   -0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4218    1.7596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1315   -0.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8411   -1.5802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8507    0.8948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5604   -0.3455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.7425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5636    0.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5540   -1.9954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5509   -2.8204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.7425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    2.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2638   -3.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8348   -3.2302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0 
  1 10  1  0  0  0  0 
  2  9  1  0  0  0  0 
  3 13  1  0  0  0  0 
  4 15  2  0  0  0  0 
  5 21  1  0  0  0  0 
  6  8  2  0  0  0  0 
  6  9  1  0  0  0  0 
  6 15  1  0  0  0  0 
  7  9  2  0  0  0  0 
  7 11  1  0  0  0  0 
  7 13  1  0  0  0  0 
  8 14  1  0  0  0  0 
 10 12  1  0  0  0  0 
 10 17  2  0  0  0  0 
 11 22  1  0  0  0  0 
 12 18  2  0  0  0  0 
 12 20  1  0  0  0  0 
 13 14  2  0  0  0  0 
 15 17  1  0  0  0  0 
 16 18  1  0  0  0  0 
 16 19  1  0  0  0  0 
 16 21  2  0  0  0  0 
 19 24  1  0  0  0  0 
 20 23  2  0  0  0  0 
 21 23  1  0  0  0  0 
 22 25  2  0  0  0  0 
 24 26  2  0  0  0  0 
 25 27  1  0  0  0  0 
 25 28  1  0  0  0  0 
 26 29  1  0  0  0  0 
 26 30  1  0  0  0  0 
M  END
> <ID>
CHEBI:175260

> <NAME>
Gancaonin Q

> <STAR>
2

> <IUPAC_NAME>
5,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)chromen-4-one

> <FORMULA>
C25H26O5

> <MASS>
406.478

> <MONOISOTOPIC_MASS>
406.17802

> <CHARGE>
0

> <SMILES>
O1C2=C(C(O)=C(CC=C(C)C)C(O)=C2)C(=O)C=C1C3=CC(CC=C(C)C)=C(O)C=C3

> <INCHI>
InChI=1S/C25H26O5/c1-14(2)5-7-16-11-17(8-10-19(16)26)22-13-21(28)24-23(30-22)12-20(27)18(25(24)29)9-6-15(3)4/h5-6,8,10-13,26-27,29H,7,9H2,1-4H3

> <INCHIKEY>
WGNIVAMNAWBYRO-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
134958-52-4

> <CHEMIDPLUS>
134958-52-4

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12110409

$$$$