14237677
  CDK     0910211423

 24 27  0  0  0  0  0  0  0  0999 V2000
    8.6400   -1.5327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6930   -1.7223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9518    1.2108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0939    1.2219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6400   -0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1215   -0.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8594   -0.4563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8594   -1.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4304   -0.4563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3082    0.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3864    0.5802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1449   -0.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9454   -0.4391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6930   -0.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4304   -1.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9465   -0.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1449   -1.6938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9454   -1.2985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2325   -0.0238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2358    0.8012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5165   -0.4336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5229    1.2164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8037   -0.0183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8068    0.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0 
  1  8  1  0  0  0  0 
  2 15  1  0  0  0  0 
  2 18  1  0  0  0  0 
  3 20  1  0  0  0  0 
  4 24  1  0  0  0  0 
  5  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  5 10  1  0  0  0  0 
  5 11  1  0  0  0  0 
  6 16  1  0  0  0  0 
  7  8  2  0  0  0  0 
  7 12  1  0  0  0  0 
  8 17  1  0  0  0  0 
  9 12  2  0  0  0  0 
  9 14  1  0  0  0  0 
  9 15  1  0  0  0  0 
 13 14  1  0  0  0  0 
 13 18  1  0  0  0  0 
 13 19  1  0  0  0  0 
 15 17  2  0  0  0  0 
 19 20  2  0  0  0  0 
 19 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 
M  END
> <ID>
CHEBI:178215

> <NAME>
Cyclomillinol

> <STAR>
2

> <IUPAC_NAME>
4-(2,3,3-trimethyl-2,5,6,7-tetrahydrouro[3,2-g]chromen-6-yl)benzene-1,3-diol

> <FORMULA>
C20H22O4

> <MASS>
326.392

> <MONOISOTOPIC_MASS>
326.15181

> <CHARGE>
0

> <SMILES>
O1C(C(C2=C1C=C3OCC(CC3=C2)C4=C(O)C=C(O)C=C4)(C)C)C

> <INCHI>
InChI=1S/C20H22O4/c1-11-20(2,3)16-7-12-6-13(10-23-18(12)9-19(16)24-11)15-5-4-14(21)8-17(15)22/h4-5,7-9,11,13,21-22H,6,10H2,1-3H3

> <INCHIKEY>
ANHPMZQXTAKLGG-UHFFFAOYSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12080006

$$$$