5316626
  CDK     0520221500

 31 33  0  0  0  0  0  0  0  0999 V2000
    5.2784   -0.8434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8360   -1.6969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8360    1.6601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7073    0.8066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3661   -0.8633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2784    1.6317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8508   -2.0808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4071    1.6767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9929    2.0442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5639    0.3941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5639   -0.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9929   -0.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8264   -0.8719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8264    0.8352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2784    0.8066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9929    0.3941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7073   -0.8434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.4113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7073   -1.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4219   -0.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4219   -2.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1363   -0.8434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1363   -1.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1263   -2.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1263    2.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7073    1.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1358    2.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4219    2.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8508   -2.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0 
  1 12  1  0  0  0  0 
  2 13  1  0  0  0  0 
  2 25  1  0  0  0  0 
  3 14  1  0  0  0  0 
  3 26  1  0  0  0  0 
  4 16  1  0  0  0  0 
  4 27  1  0  0  0  0 
  5 17  1  0  0  0  0 
  5 28  1  0  0  0  0 
  6 15  2  0  0  0  0 
  7 24  1  0  0  0  0 
  7 31  1  0  0  0  0 
  8 26  2  0  0  0  0 
  9 27  2  0  0  0  0 
 10 11  2  0  0  0  0 
 10 14  1  0  0  0  0 
 10 15  1  0  0  0  0 
 11 13  1  0  0  0  0 
 12 16  2  0  0  0  0 
 12 18  1  0  0  0  0 
 13 17  2  0  0  0  0 
 14 19  2  0  0  0  0 
 15 16  1  0  0  0  0 
 17 19  1  0  0  0  0 
 18 20  2  0  0  0  0 
 18 21  1  0  0  0  0 
 20 22  1  0  0  0  0 
 21 23  2  0  0  0  0 
 22 24  2  0  0  0  0 
 23 24  1  0  0  0  0 
 26 29  1  0  0  0  0 
 27 30  1  0  0  0  0 
M  END
> <ID>
CHEBI:191967

> <NAME>
Tambulin 3,5-diacetate

> <STAR>
2

> <IUPAC_NAME>
[3-acetyloxy-7,8-dimethoxy-2-(4-methoxyphenyl)-4-oxochromen-5-yl] acetate

> <FORMULA>
C22H20O9

> <MASS>
428.393

> <MONOISOTOPIC_MASS>
428.11073

> <CHARGE>
0

> <SMILES>
O1C2=C(C(OC(=O)C)=CC(OC)=C2OC)C(=O)C(OC(=O)C)=C1C3=CC=C(OC)C=C3

> <INCHI>
InChI=1S/C22H20O9/c1-11(23)29-15-10-16(27-4)20(28-5)21-17(15)18(25)22(30-12(2)24)19(31-21)13-6-8-14(26-3)9-7-13/h6-10H,1-5H3

> <INCHIKEY>
AMJOOTWKPBPRPW-UHFFFAOYSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12113173

$$$$