5481966
  CDK     0602212312

 27 29  0  0  0  0  0  0  0  0999 V2000
    6.7073   -0.2231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2649    2.2805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7950   -0.2430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1363    1.4269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7073    2.2519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8508   -2.2856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2797   -1.4606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9929    1.0144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    1.0316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9929    0.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2553    1.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7950    1.4469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2553   -0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7073    1.4269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4218    0.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4218    1.0144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1363   -0.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.0371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3661    1.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1363   -1.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8508    0.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8508   -1.4606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5652   -0.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.0426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3692    2.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5652   -1.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0 
  1 16  1  0  0  0  0 
  2 11  1  0  0  0  0 
  3 13  1  0  0  0  0 
  4 17  1  0  0  0  0 
  5 15  2  0  0  0  0 
  6 23  1  0  0  0  0 
  7 27  1  0  0  0  0 
  8 10  2  0  0  0  0 
  8 11  1  0  0  0  0 
  8 15  1  0  0  0  0 
  9 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
  9 13  1  0  0  0  0 
 10 14  1  0  0  0  0 
 12 19  1  0  0  0  0 
 13 14  2  0  0  0  0 
 15 17  1  0  0  0  0 
 16 17  2  0  0  0  0 
 16 18  1  0  0  0  0 
 18 21  2  0  0  0  0 
 18 22  1  0  0  0  0 
 19 20  2  0  0  0  0 
 20 25  1  0  0  0  0 
 20 26  1  0  0  0  0 
 21 23  1  0  0  0  0 
 22 24  2  0  0  0  0 
 23 27  2  0  0  0  0 
 24 27  1  0  0  0  0 
M  END
> <ID>
CHEBI:175755

> <NAME>
Gancaonin P

> <STAR>
2

> <IUPAC_NAME>
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-(3-methylbut-2-enyl)chromen-4-one

> <FORMULA>
C20H18O7

> <MASS>
370.357

> <MONOISOTOPIC_MASS>
370.10525

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C20H18O7/c1-9(2)3-5-11-13(22)8-15-16(17(11)24)18(25)19(26)20(27-15)10-4-6-12(21)14(23)7-10/h3-4,6-8,21-24,26H,5H2,1-2H3

> <INCHIKEY>
OCIIFJFJVOTFTN-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
129145-54-6

> <CHEMIDPLUS>
129145-54-6

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12112285

$$$$