Marvin  04251309382D          

 20 23  0  0  1  0            999 V2000
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715   -2.4570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3276   -1.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9920   -2.5433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1481   -1.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4769   -3.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6330   -2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2974   -3.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7823   -3.7919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6028   -3.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
  5  9  1  0  0  0  0
  7 11  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
> <ID>
CHEBI:16114

> <NAME>
medicarpin

> <DEFINITION>
A member of the class of pterocarpans that is 3-hydroxyptercarpan with a methoxy substituent at position 9.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:14576; CHEBI:18492; CHEBI:25177; CHEBI:27497

> <SYNONYM>
medicarpin

> <IUPAC_NAME>
9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol

> <FORMULA>
C16H14O4

> <MASS>
270.28000

> <MONOISOTOPIC_MASS>
270.08921

> <CHARGE>
0

> <SMILES>
COc1ccc2C3COc4cc(O)ccc4C3Oc2c1

> <INCHI>
InChI=1S/C16H14O4/c1-18-10-3-5-11-13-8-19-14-6-9(17)2-4-12(14)16(13)20-15(11)7-10/h2-7,13,16-17H,8H2,1H3

> <INCHIKEY>
NSRJSISNDPOJOP-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1322055

$$$$