177156
  CDK     0602212311

 25 28  0  0  0  0  0  0  0  0999 V2000
    4.5623   -0.5492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0575   -2.8631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1104   -3.0527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -3.0441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2768    2.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5623    1.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9913    1.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5623    1.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9913    1.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2768    0.6883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6894    3.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8643    3.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2768   -0.1367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7058    0.6883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5623   -1.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2768   -1.7867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8479   -1.7867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2768   -2.6117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8479   -2.6117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5623   -3.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0575   -1.5353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1104   -1.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5390   -2.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3629   -1.7695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3629   -2.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0 
  1 15  1  0  0  0  0 
  2 18  1  0  0  0  0 
  2 23  1  0  0  0  0 
  3 19  1  0  0  0  0 
  3 25  1  0  0  0  0 
  4 25  2  0  0  0  0 
  5  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  5 11  1  0  0  0  0 
  5 12  1  0  0  0  0 
  6  8  1  0  0  0  0 
  7  9  1  0  0  0  0 
  8 10  1  0  0  0  0 
  9 10  2  0  0  0  0 
  9 14  1  0  0  0  0 
 10 13  1  0  0  0  0 
 15 16  1  0  0  0  0 
 15 17  2  0  0  0  0 
 16 18  2  0  0  0  0 
 16 21  1  0  0  0  0 
 17 19  1  0  0  0  0 
 17 22  1  0  0  0  0 
 18 20  1  0  0  0  0 
 19 20  2  0  0  0  0 
 21 23  2  0  0  0  0 
 22 24  2  0  0  0  0 
 24 25  1  0  0  0  0 
M  END
> <ID>
CHEBI:174542

> <NAME>
Archangelin

> <STAR>
2

> <IUPAC_NAME>
4-[(2,4,4-trimethylcyclohexen-1-yl)methoxy]uro[3,2-g]chromen-7-one

> <FORMULA>
C21H22O4

> <MASS>
338.403

> <MONOISOTOPIC_MASS>
338.15181

> <CHARGE>
0

> <SMILES>
O(CC=1CCC(CC1C)(C)C)C=2C3=C(OC=C3)C=C4OC(=O)C=CC24

> <INCHI>
InChI=1S/C21H22O4/c1-13-11-21(2,3)8-6-14(13)12-24-20-15-4-5-19(22)25-18(15)10-17-16(20)7-9-23-17/h4-5,7,9-10H,6,8,11-12H2,1-3H3

> <INCHIKEY>
NETRCGJRLNZPCW-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
21174-75-4

> <CHEMIDPLUS>
21174-75-4

$$$$